Namespace storing mathematical and physical constants. More...

Variables
constexpr double	atomic_mass_constant = 1.660538782e-27
	Mass constant in atomic units.

constexpr double	atomic_mass_in_au = 1822.88848
	Atomic mass in atomic units.

constexpr double	atomic_unit_of_1st_hyperpolarizablity = 3.206361533e-53
	First hyperpolarizability in atomic units.

constexpr double	atomic_unit_of_2nd_hyperpolarizablity = 6.23538095e-65
	Second hyperpolarizability in atomic units.

constexpr double	atomic_unit_of_action = 1.054571628e-34
	Action in atomic units.

constexpr double	atomic_unit_of_charge = 1.602176487e-19
	Charge in atomic units.

constexpr double	atomic_unit_of_charge_density = 1.081202300e12
	Charge density in atomic units.

constexpr double	atomic_unit_of_current = 6.62361763e-3
	Current in atomic units.

constexpr double	atomic_unit_of_electric_dipole_moment = 8.47835281e-30
	Electric dipole moment in atomic units.

constexpr double	atomic_unit_of_electric_field = 5.14220632e11
	Electric field in atomic units.

constexpr double	atomic_unit_of_electric_field_gradient = 9.71736166e21
	Electric field gradient in atomic units.

constexpr double	atomic_unit_of_electric_polarizablity = 1.6487772536e-41
	Electric polarizability in atomic units.

constexpr double	atomic_unit_of_electric_potential = 27.21138386
	Electric potential in atomic units.

constexpr double	atomic_unit_of_electric_quadrupole_moment = 4.48655107e-40
	Electric quadrupole moment in atomic units.

constexpr double	atomic_unit_of_energy = 4.35974394e-18
	Energy in atomic units.

constexpr double	atomic_unit_of_force = 8.23872206e-8
	Force in atomic units.

constexpr double	atomic_unit_of_length = 0.52917720859e-10
	Length in atomic units.

constexpr double	atomic_unit_of_magnetic_dipole_moment = 1.854801830e-23
	Magnetic dipole moment in atomic units.

constexpr double	atomic_unit_of_magnetic_flux_density = 2.350517382e5
	Magnetic flux density in atomic units.

constexpr double	atomic_unit_of_magnetizability = 7.891036433e-29
	Magnetizability in atomic units.

constexpr double	atomic_unit_of_mass = 9.10938215e-31
	Mass in atomic units.

constexpr double	atomic_unit_of_momentum = 1.992851565e-24
	Momentum in atomic units.

constexpr double	atomic_unit_of_permittivity = 1.112650056e-10
	Permittivity in atomic units.

constexpr double	atomic_unit_of_time = 2.418884326505e-17
	Time in atomic units.

constexpr double	atomic_unit_of_velocity = 2.1876912541e6
	Velocity in atomic units.

constexpr double	au2invcm = 219474.6313705
	conversion from atomic units in reciprocal centimeter

constexpr double	Avogadro_constant = 6.02214179e23
	Avogadro's number.

constexpr double	Bohr_magneton = 927.400915e-26
	Bohr magneton.

constexpr double	Bohr_radius = 0.52917720859e-10
	Bohr radius.

constexpr double	Boltzmann_constant = 1.3806504e-23
	Boltzmann constant.

constexpr double	calorie_joule_relationship = 4.184000000
	1 kcal/mol = 4.184 kJ/mol.

constexpr double	Compton_wavelength = 2.4263102175e-12
	Compton wavelength.

constexpr double	conductance_quantum = 7.7480917004e-5
	Quantum of conductance, .

constexpr double	Debye = 3.335640035e-30
	Cm (coulomb metre).

constexpr double	dielectric_constant = 8.854187817e-12
	the dielectric constant $\epsilon_0$ , or the permittivity of vacuum

constexpr double	electron_g_factor = -2.0023193043622
	Electron factor.

constexpr double	electron_gyromagnetic_ratio = 1.760859770e11
	Electron gyromagnetic ratio.

constexpr double	electron_magnetic_moment = -928.476377e-26
	Electron magnetic moment.

constexpr double	electron_magnetic_moment_anomaly = 1.15965218111e-3
	Electron magnetic moment anomaly.

constexpr double	electron_magnetic_moment_to_Bohr_magneton_ratio = -1.00115965218111
	Ratio between the electron magnetic moment and Bohr magneton.

constexpr double	electron_magnetic_moment_to_nuclear_magneton_ratio = -1838.28197092
	Ratio between the electron magnetic moment and nuclear magneton.

constexpr double	electron_mass = 9.10938215e-31
	Electron mass.

constexpr double	electron_proton_mass_ratio = 5.4461702177e-4
	Ratio of the electron to proton mass.

constexpr double	electron_volt = 1.602176487e-19
	Electron volt.

constexpr double	electron_volt_hartree_relationship = 3.674932540e-2
	Electron volt to Hartree conversion.

constexpr double	electron_volt_hertz_relationship = 2.417989454e14
	Electron volt to Hertz relationship.

constexpr double	electron_volt_joule_relationship = 1.602176487e-19
	Electron volt to Joule relationship.

constexpr double	elementary_charge = 1.602176487e-19
	Elementary charge.

constexpr double	Faraday_constant = 96485.3399
	Faraday constant.

constexpr double	Fermi_coupling_constant = 1.16637e-5
	Fermi coupling constant.

constexpr double	fine_structure_constant = 7.2973525376e-3
	Fine structure constant.

constexpr double	hartree_electron_volt_relationship = 27.21138386
	Hartree to electron volt relationship.

constexpr double	Hartree_energy = 4.35974394e-18
	Hartree energy in Joules.

constexpr double	hartree_hertz_relationship = 6.579683920722e15
	Hartree energy in Hertz.

constexpr double	hartree_inverse_meter_relationship = 2.194746313705e7
	Hartree energy in inverse meters.

constexpr double	hartree_joule_relationship = 4.35974394e-18
	Hartree energy in Joules.

constexpr double	hartree_kelvin_relationship = 3.1577465e5
	Hartree energy in Kelvin.

constexpr double	hertz_electron_volt_relationship = 4.13566733e-15
	Hertz energy in electron volts.

constexpr double	hertz_hartree_relationship = 1.519829846006e-16
	Hertz energy in Hartrees.

constexpr double	hertz_joule_relationship = 6.62606896e-34
	Hertz energy in Joules.

constexpr double	hertz_kelvin_relationship = 4.7992374e-11
	Hertz energy in Kelvin.

constexpr double	inv_sqrt_pi = 0.564189583547756286948079451561
	Mathematical constant $\pi^{-1/2}$ .

constexpr double	nuclear_magneton = 5.05078324e-27
	Nuclear magneton.

constexpr double	nuclear_magneton_in_eV_per_T = 3.1524512326e-8
	Nuclear magneton in electron volts per Tesla.

constexpr double	pi = 3.14159265358979323846264338328
	Mathematical constant $\pi$ .

constexpr double	Planck_constant = 6.62606896e-34
	Planck's constant.

constexpr double	Planck_constant_over_2_pi = 1.054571628e-34
	Reduced Planck's constant.

constexpr double	proton_electron_mass_ratio = 1836.15267247
	Ratio of proton to electron mass.

constexpr double	proton_g_factor = 5.585694713
	Proton factor.

constexpr double	proton_gyromagnetic_ratio = 2.675222099e8
	Proton gyromagnetic ratio.

constexpr double	proton_magnetic_moment = 1.410606662e-26
	Proton magnetic moment.

constexpr double	proton_mass = 1.672621637e-27
	Proton mass.

constexpr double	Rydberg_constant = 10973731.568527
	Rydberg constant.

constexpr double	speed_of_light_in_vacuum = 299792458
	Speed of light in a vacuum.

constexpr double	speed_of_light_in_vacuum_in_au = 1.0/fine_structure_constant
	speed of light in vacuum in au

constexpr double	sqrt_pi = 1.77245385090551602729816748334
	Mathematical constant $\sqrt{\pi}$ .

constexpr double	Stefan_Boltzmann_constant = 5.670400e-8
	Stefan-Boltzmann constant.

constexpr double	unified_atomic_mass_unit = 1.660538782e-27
	Unified atomic mass unit.

Detailed Description

Namespace storing mathematical and physical constants.

Variable Documentation

◆ atomic_mass_constant

constexpr double madness::constants::atomic_mass_constant = 1.660538782e-27

constexpr

Mass constant in atomic units.

Referenced by madness::Nemo::compute_IR_intensities().

◆ atomic_mass_in_au

constexpr double madness::constants::atomic_mass_in_au = 1822.88848

constexpr

Atomic mass in atomic units.

Referenced by madness::Nemo::compute_IR_intensities(), madness::MolecularOptimizer::compute_reduced_mass(), compute_reduced_mass(), madness::Atom::get_mass_in_au(), projector_external_dof(), and madness::MolecularOptimizer::projector_external_dof().

◆ atomic_unit_of_1st_hyperpolarizablity

constexpr double madness::constants::atomic_unit_of_1st_hyperpolarizablity = 3.206361533e-53

constexpr

First hyperpolarizability in atomic units.

◆ atomic_unit_of_2nd_hyperpolarizablity

constexpr double madness::constants::atomic_unit_of_2nd_hyperpolarizablity = 6.23538095e-65

constexpr

Second hyperpolarizability in atomic units.

◆ atomic_unit_of_action

constexpr double madness::constants::atomic_unit_of_action = 1.054571628e-34

constexpr

Action in atomic units.

◆ atomic_unit_of_charge

constexpr double madness::constants::atomic_unit_of_charge = 1.602176487e-19

constexpr

Charge in atomic units.

◆ atomic_unit_of_charge_density

constexpr double madness::constants::atomic_unit_of_charge_density = 1.081202300e12

constexpr

Charge density in atomic units.

◆ atomic_unit_of_current

constexpr double madness::constants::atomic_unit_of_current = 6.62361763e-3

constexpr

Current in atomic units.

◆ atomic_unit_of_electric_dipole_moment

constexpr double madness::constants::atomic_unit_of_electric_dipole_moment = 8.47835281e-30

constexpr

Electric dipole moment in atomic units.

Referenced by madness::Nemo::compute_IR_intensities().

◆ atomic_unit_of_electric_field

constexpr double madness::constants::atomic_unit_of_electric_field = 5.14220632e11

constexpr

Electric field in atomic units.

◆ atomic_unit_of_electric_field_gradient

constexpr double madness::constants::atomic_unit_of_electric_field_gradient = 9.71736166e21

constexpr

Electric field gradient in atomic units.

◆ atomic_unit_of_electric_polarizablity

constexpr double madness::constants::atomic_unit_of_electric_polarizablity = 1.6487772536e-41

constexpr

Electric polarizability in atomic units.

◆ atomic_unit_of_electric_potential

constexpr double madness::constants::atomic_unit_of_electric_potential = 27.21138386

constexpr

Electric potential in atomic units.

◆ atomic_unit_of_electric_quadrupole_moment

constexpr double madness::constants::atomic_unit_of_electric_quadrupole_moment = 4.48655107e-40

constexpr

Electric quadrupole moment in atomic units.

◆ atomic_unit_of_energy

constexpr double madness::constants::atomic_unit_of_energy = 4.35974394e-18

constexpr

Energy in atomic units.

◆ atomic_unit_of_force

constexpr double madness::constants::atomic_unit_of_force = 8.23872206e-8

constexpr

Force in atomic units.

◆ atomic_unit_of_length

constexpr double madness::constants::atomic_unit_of_length = 0.52917720859e-10

constexpr

Length in atomic units.

Referenced by madness::Molecule::Molecule(), madness::Molecule::add_atom(), madness::Molecule::add_atom(), madness::Nemo::compute_IR_intensities(), madness::Molecule::read(), MolecularEntity::read_file(), and madness::Molecule::read_xyz().

◆ atomic_unit_of_magnetic_dipole_moment

constexpr double madness::constants::atomic_unit_of_magnetic_dipole_moment = 1.854801830e-23

constexpr

Magnetic dipole moment in atomic units.

◆ atomic_unit_of_magnetic_flux_density

constexpr double madness::constants::atomic_unit_of_magnetic_flux_density = 2.350517382e5

constexpr

Magnetic flux density in atomic units.

◆ atomic_unit_of_magnetizability

constexpr double madness::constants::atomic_unit_of_magnetizability = 7.891036433e-29

constexpr

Magnetizability in atomic units.

◆ atomic_unit_of_mass

constexpr double madness::constants::atomic_unit_of_mass = 9.10938215e-31

constexpr

Mass in atomic units.

◆ atomic_unit_of_momentum

constexpr double madness::constants::atomic_unit_of_momentum = 1.992851565e-24

constexpr

Momentum in atomic units.

◆ atomic_unit_of_permittivity

constexpr double madness::constants::atomic_unit_of_permittivity = 1.112650056e-10

constexpr

Permittivity in atomic units.

◆ atomic_unit_of_time

constexpr double madness::constants::atomic_unit_of_time = 2.418884326505e-17

constexpr

Time in atomic units.

◆ atomic_unit_of_velocity

constexpr double madness::constants::atomic_unit_of_velocity = 2.1876912541e6

constexpr

Velocity in atomic units.

◆ au2invcm

constexpr double madness::constants::au2invcm = 219474.6313705

constexpr

conversion from atomic units in reciprocal centimeter

Referenced by madness::Nemo::hessian(), and madness::MolecularOptimizer::optimize_quasi_newton().

◆ Avogadro_constant

constexpr double madness::constants::Avogadro_constant = 6.02214179e23

constexpr

Avogadro's number.

Referenced by madness::Nemo::compute_IR_intensities().

◆ Bohr_magneton

constexpr double madness::constants::Bohr_magneton = 927.400915e-26

constexpr

Bohr magneton.

◆ Bohr_radius

constexpr double madness::constants::Bohr_radius = 0.52917720859e-10

constexpr

Bohr radius.

◆ Boltzmann_constant

constexpr double madness::constants::Boltzmann_constant = 1.3806504e-23

constexpr

Boltzmann constant.

◆ calorie_joule_relationship

constexpr double madness::constants::calorie_joule_relationship = 4.184000000

constexpr

1 kcal/mol = 4.184 kJ/mol.

◆ Compton_wavelength

constexpr double madness::constants::Compton_wavelength = 2.4263102175e-12

constexpr

Compton wavelength.

◆ conductance_quantum

constexpr double madness::constants::conductance_quantum = 7.7480917004e-5

constexpr

Quantum of conductance, $ 2e^2/h $ .

◆ Debye

constexpr double madness::constants::Debye = 3.335640035e-30

constexpr

Cm (coulomb metre).

◆ dielectric_constant

constexpr double madness::constants::dielectric_constant = 8.854187817e-12

constexpr

the dielectric constant $\epsilon_0$ , or the permittivity of vacuum

Referenced by madness::Nemo::compute_IR_intensities().

◆ electron_g_factor

constexpr double madness::constants::electron_g_factor = -2.0023193043622

constexpr

Electron $g$ factor.

◆ electron_gyromagnetic_ratio

constexpr double madness::constants::electron_gyromagnetic_ratio = 1.760859770e11

constexpr

Electron gyromagnetic ratio.

◆ electron_magnetic_moment

constexpr double madness::constants::electron_magnetic_moment = -928.476377e-26

constexpr

Electron magnetic moment.

◆ electron_magnetic_moment_anomaly

constexpr double madness::constants::electron_magnetic_moment_anomaly = 1.15965218111e-3

constexpr

Electron magnetic moment anomaly.

◆ electron_magnetic_moment_to_Bohr_magneton_ratio

constexpr double madness::constants::electron_magnetic_moment_to_Bohr_magneton_ratio = -1.00115965218111

constexpr

Ratio between the electron magnetic moment and Bohr magneton.

◆ electron_magnetic_moment_to_nuclear_magneton_ratio

constexpr double madness::constants::electron_magnetic_moment_to_nuclear_magneton_ratio = -1838.28197092

constexpr

Ratio between the electron magnetic moment and nuclear magneton.

◆ electron_mass

constexpr double madness::constants::electron_mass = 9.10938215e-31

constexpr

Electron mass.

◆ electron_proton_mass_ratio

constexpr double madness::constants::electron_proton_mass_ratio = 5.4461702177e-4

constexpr

Ratio of the electron to proton mass.

◆ electron_volt

constexpr double madness::constants::electron_volt = 1.602176487e-19

constexpr

Electron volt.

◆ electron_volt_hartree_relationship

constexpr double madness::constants::electron_volt_hartree_relationship = 3.674932540e-2

constexpr

Electron volt to Hartree conversion.

◆ electron_volt_hertz_relationship

constexpr double madness::constants::electron_volt_hertz_relationship = 2.417989454e14

constexpr

Electron volt to Hertz relationship.

◆ electron_volt_joule_relationship

constexpr double madness::constants::electron_volt_joule_relationship = 1.602176487e-19

constexpr

Electron volt to Joule relationship.

◆ elementary_charge

constexpr double madness::constants::elementary_charge = 1.602176487e-19

constexpr

Elementary charge.

◆ Faraday_constant

constexpr double madness::constants::Faraday_constant = 96485.3399

constexpr

Faraday constant.

◆ Fermi_coupling_constant

constexpr double madness::constants::Fermi_coupling_constant = 1.16637e-5

constexpr

Fermi coupling constant.

◆ fine_structure_constant

constexpr double madness::constants::fine_structure_constant = 7.2973525376e-3

constexpr

Fine structure constant.

Referenced by main(), Ansatz0::make_guess(), and make_sp().

◆ hartree_electron_volt_relationship

constexpr double madness::constants::hartree_electron_volt_relationship = 27.21138386

constexpr

Hartree to electron volt relationship.

Referenced by madness::TDHF::analyze(), and madness::CC2::solve_lrcc2().

◆ Hartree_energy

constexpr double madness::constants::Hartree_energy = 4.35974394e-18

constexpr

Hartree energy in Joules.

◆ hartree_hertz_relationship

constexpr double madness::constants::hartree_hertz_relationship = 6.579683920722e15

constexpr

Hartree energy in Hertz.

◆ hartree_inverse_meter_relationship

constexpr double madness::constants::hartree_inverse_meter_relationship = 2.194746313705e7

constexpr

Hartree energy in inverse meters.

◆ hartree_joule_relationship

constexpr double madness::constants::hartree_joule_relationship = 4.35974394e-18

constexpr

Hartree energy in Joules.

◆ hartree_kelvin_relationship

constexpr double madness::constants::hartree_kelvin_relationship = 3.1577465e5

constexpr

Hartree energy in Kelvin.

◆ hertz_electron_volt_relationship

constexpr double madness::constants::hertz_electron_volt_relationship = 4.13566733e-15

constexpr

Hertz energy in electron volts.

◆ hertz_hartree_relationship

constexpr double madness::constants::hertz_hartree_relationship = 1.519829846006e-16

constexpr

Hertz energy in Hartrees.

◆ hertz_joule_relationship

constexpr double madness::constants::hertz_joule_relationship = 6.62606896e-34

constexpr

Hertz energy in Joules.

◆ hertz_kelvin_relationship

constexpr double madness::constants::hertz_kelvin_relationship = 4.7992374e-11

constexpr

Hertz energy in Kelvin.

◆ inv_sqrt_pi

constexpr double madness::constants::inv_sqrt_pi = 0.564189583547756286948079451561

constexpr

Mathematical constant $\pi^{-1/2}$ .

Referenced by g(), g1(), gd(), gd1(), gt(), and gt1().

◆ nuclear_magneton

constexpr double madness::constants::nuclear_magneton = 5.05078324e-27

constexpr

Nuclear magneton.

◆ nuclear_magneton_in_eV_per_T

constexpr double madness::constants::nuclear_magneton_in_eV_per_T = 3.1524512326e-8

constexpr

Nuclear magneton in electron volts per Tesla.

◆ pi

constexpr double madness::constants::pi = 3.14159265358979323846264338328

constexpr

Mathematical constant $\pi$ .

Referenced by madness::BandlimitedPropagator::BandlimitedPropagator(), EwaldNuclearPotentialFunctor::EwaldNuclearPotentialFunctor(), FermiNucDistFunctor::FermiNucDistFunctor(), HO_function< NDIM >::HO_function(), MolecularNuclearPotentialFunctor2::MolecularNuclearPotentialFunctor2(), OpFExact::OpFExact(), madness::ProjRLMFunctor::ProjRLMFunctor(), refpotfunctor::refpotfunctor(), madness::SeparatedConvolution< Q, NDIM >::SeparatedConvolution(), SVPESolver::SVPESolver(), A(), A2(), apply_potential(), area_two_spheres(), bend(), madness::GFit< T, NDIM >::bsh_fit(), madness::GFit< T, NDIM >::bsh_fit_ndim(), madness::GFit< T, NDIM >::bsh_spherical_moments(), madness::GFit< T, NDIM >::BSHFit(), charge_function(), madness::trajectory< NDIM >::circle2(), madness::trajectory< NDIM >::circle_6d(), madness::MP2::compute_gQf(), madness::Nemo::compute_IR_intensities(), compute_madelung_energy(), compute_madelung_energy_PWSCF(), conv_prime_g(), converge(), convg(), convg1(), madness::F12Potentials::convolve_with_fg(), madness::F12Potentials::convolve_with_fg(), madness::F12Potentials::convolve_with_fU(), madness::GFit< T, NDIM >::CoulombFit(), madness::d2smoothed_potential(), dfunc(), madness::GaussianDomainMask::dmask(), MolecularMaskBase::dmask(), DSphere::dmask(), madness::RandomizedMatrixDecomposition< T >::do_compute_range(), EwaldNuclearPotentialFunctor::do_G_sum_v1(), EwaldNuclearPotentialFunctor::do_G_sum_v2(), EwaldNuclearPotentialFunctor::do_R_sum_v1(), madness::NuclearCorrelationFactor::dsmoothed_unitvec(), madness::GaussianDomainMask::dsurface(), Ebar(), electronic_charge_function(), madness::CoreOrbital::eval_radial(), madness::CoreOrbital::eval_radial_derivative(), madness::GFit< T, NDIM >::F2GFit(), madness::GFit< T, NDIM >::FGFit(), func(), function(), gaussian(), gaussian1(), gaussian2(), gaussian3(), madness::GFit< T, NDIM >::gaussian_spherical_moments(), gen_ce(), generate_G_vectors(), madness::Solver< T, NDIM >::genkmesh(), gprime(), madness::GradBSHOperator(), GradBSHOperator_Joel(), madness::GradCoulombOperator(), gradPbarA(), madness::GradSlaterOperator(), guess(), madness::MP2::guess_mp1_3(), madness::Solver< T, NDIM >::init(), madness::TwoElectronInterface< T, NDIM >::initialize(), iterate(), iterate_excite(), madness::Nemo::kinetic_energy_potential(), laser(), main(), make_grad_operator(), madness::Nemo::make_laplacian_density(), make_operator(), GygiPot::make_surfcharge(), SurfaceMoleculeInteraction::make_surfcharge(), ContractedGaussianShell::normalize(), madness::ContractedGaussianShell::normalize(), nuc_func(), nuclear_charge_function(), G::operator()(), GConvGNP::operator()(), GConvGRNP::operator()(), uexact::operator()(), Charge::operator()(), DPot::operator()(), madness::ProjRLMFunctor::operator()(), madness::WSTAtomicBasisFunctor::operator()(), SphericalHarmonics::operator()(), uexact::operator()(), GaussianPotential::operator()(), gauss_1d::operator()(), madness::ProjRLMFunctor::operator()(), PbarA(), phi_guess(), potential(), potn(), FermiNucDistFunctor::print_details(), propagate(), propagate(), propagate(), psi_guess(), pw_lhs(), pw_rhs(), q(), random_gaussian(), rho_func(), rho_function(), rk_v(), madness::GFit< T, NDIM >::slater_fit(), madness::smoothed_density(), madness::NuclearCorrelationFactor::smoothed_unitvec(), source(), source1(), MolecularMaskBase::special_points(), madness::GaussianDomainMask::surface(), ConstantSphere::SurfaceIntegral(), InhomoConstantSphere::SurfaceIntegral(), CosineSphere::SurfaceIntegral(), Y20Sphere::SurfaceIntegral(), test_bsh(), test_chin_chen(), test_combined_operators(), test_gaussian_num_coeffs(), test_gconv(), test_gence2(), test_opdir(), test_per(), test_periodic(), test_periodic1(), test_proj(), test_tight_diffuse(), test_trotter(), u(), uinitial(), uinitial(), GygiPot::V_epsilon(), madness::FunctionImpl< T, NDIM >::vol_nsphere(), madness::randomgrid< NDIM >::volume(), volume_two_spheres(), ConstantSphere::VolumeIntegral(), InhomoConstantSphere::VolumeIntegral(), CosineSphere::VolumeIntegral(), Y20Sphere::VolumeIntegral(), w(), and madness::LowRankFunctionFactory< T, NDIM, LDIM >::Yformer().

◆ Planck_constant

constexpr double madness::constants::Planck_constant = 6.62606896e-34

constexpr

Planck's constant.

◆ Planck_constant_over_2_pi

constexpr double madness::constants::Planck_constant_over_2_pi = 1.054571628e-34

constexpr

Reduced Planck's constant.

◆ proton_electron_mass_ratio

constexpr double madness::constants::proton_electron_mass_ratio = 1836.15267247

constexpr

Ratio of proton to electron mass.

◆ proton_g_factor

constexpr double madness::constants::proton_g_factor = 5.585694713

constexpr

Proton $ g $ factor.

◆ proton_gyromagnetic_ratio

constexpr double madness::constants::proton_gyromagnetic_ratio = 2.675222099e8

constexpr

Proton gyromagnetic ratio.

◆ proton_magnetic_moment

constexpr double madness::constants::proton_magnetic_moment = 1.410606662e-26

constexpr

Proton magnetic moment.

◆ proton_mass

constexpr double madness::constants::proton_mass = 1.672621637e-27

constexpr

Proton mass.

◆ Rydberg_constant

constexpr double madness::constants::Rydberg_constant = 10973731.568527

constexpr

Rydberg constant.

◆ speed_of_light_in_vacuum

constexpr double madness::constants::speed_of_light_in_vacuum = 299792458

constexpr

Speed of light in a vacuum.

Referenced by madness::Nemo::compute_IR_intensities().

◆ speed_of_light_in_vacuum_in_au

constexpr double madness::constants::speed_of_light_in_vacuum_in_au = 1.0/fine_structure_constant

constexpr

speed of light in vacuum in au

◆ sqrt_pi

constexpr double madness::constants::sqrt_pi = 1.77245385090551602729816748334

constexpr

Mathematical constant $\sqrt{\pi}$ .

◆ Stefan_Boltzmann_constant

constexpr double madness::constants::Stefan_Boltzmann_constant = 5.670400e-8

constexpr

Stefan-Boltzmann constant.

◆ unified_atomic_mass_unit

constexpr double madness::constants::unified_atomic_mass_unit = 1.660538782e-27

constexpr

Unified atomic mass unit.

Variables

Detailed Description

Variable Documentation

◆ atomic_mass_constant

◆ atomic_mass_in_au

◆ atomic_unit_of_1st_hyperpolarizablity

◆ atomic_unit_of_2nd_hyperpolarizablity

◆ atomic_unit_of_action

◆ atomic_unit_of_charge

◆ atomic_unit_of_charge_density

◆ atomic_unit_of_current

◆ atomic_unit_of_electric_dipole_moment

◆ atomic_unit_of_electric_field

◆ atomic_unit_of_electric_field_gradient

◆ atomic_unit_of_electric_polarizablity

◆ atomic_unit_of_electric_potential

◆ atomic_unit_of_electric_quadrupole_moment

◆ atomic_unit_of_energy

◆ atomic_unit_of_force

◆ atomic_unit_of_length

◆ atomic_unit_of_magnetic_dipole_moment

◆ atomic_unit_of_magnetic_flux_density

◆ atomic_unit_of_magnetizability

◆ atomic_unit_of_mass

◆ atomic_unit_of_momentum

◆ atomic_unit_of_permittivity

◆ atomic_unit_of_time

◆ atomic_unit_of_velocity

◆ au2invcm

◆ Avogadro_constant

◆ Bohr_magneton

◆ Bohr_radius

◆ Boltzmann_constant

◆ calorie_joule_relationship

◆ Compton_wavelength

◆ conductance_quantum

◆ Debye

◆ dielectric_constant

◆ electron_g_factor

◆ electron_gyromagnetic_ratio

◆ electron_magnetic_moment

◆ electron_magnetic_moment_anomaly

◆ electron_magnetic_moment_to_Bohr_magneton_ratio

◆ electron_magnetic_moment_to_nuclear_magneton_ratio

◆ electron_mass

◆ electron_proton_mass_ratio

◆ electron_volt

◆ electron_volt_hartree_relationship

◆ electron_volt_hertz_relationship

◆ electron_volt_joule_relationship

◆ elementary_charge

◆ Faraday_constant

◆ Fermi_coupling_constant

◆ fine_structure_constant

◆ hartree_electron_volt_relationship

◆ Hartree_energy

◆ hartree_hertz_relationship

◆ hartree_inverse_meter_relationship

◆ hartree_joule_relationship

◆ hartree_kelvin_relationship

◆ hertz_electron_volt_relationship

◆ hertz_hartree_relationship

◆ hertz_joule_relationship

◆ hertz_kelvin_relationship

◆ inv_sqrt_pi

◆ nuclear_magneton

◆ nuclear_magneton_in_eV_per_T

◆ pi

◆ Planck_constant

◆ Planck_constant_over_2_pi

◆ proton_electron_mass_ratio

◆ proton_g_factor

◆ proton_gyromagnetic_ratio

◆ proton_magnetic_moment

◆ proton_mass

◆ Rydberg_constant

◆ speed_of_light_in_vacuum

◆ speed_of_light_in_vacuum_in_au

◆ sqrt_pi

◆ Stefan_Boltzmann_constant