MADNESS 0.10.1
Namespaces | Variables
constants.h File Reference

Defines common mathematical and physical constants. More...

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Namespaces

namespace  madness
 Namespace for all elements and tools of MADNESS.
 
namespace  madness::constants
 Namespace storing mathematical and physical constants.
 

Variables

constexpr double madness::constants::atomic_mass_constant = 1.660538782e-27
 Mass constant in atomic units.
 
constexpr double madness::constants::atomic_mass_in_au = 1822.88848
 Atomic mass in atomic units.
 
constexpr double madness::constants::atomic_unit_of_1st_hyperpolarizablity = 3.206361533e-53
 First hyperpolarizability in atomic units.
 
constexpr double madness::constants::atomic_unit_of_2nd_hyperpolarizablity = 6.23538095e-65
 Second hyperpolarizability in atomic units.
 
constexpr double madness::constants::atomic_unit_of_action = 1.054571628e-34
 Action in atomic units.
 
constexpr double madness::constants::atomic_unit_of_charge = 1.602176487e-19
 Charge in atomic units.
 
constexpr double madness::constants::atomic_unit_of_charge_density = 1.081202300e12
 Charge density in atomic units.
 
constexpr double madness::constants::atomic_unit_of_current = 6.62361763e-3
 Current in atomic units.
 
constexpr double madness::constants::atomic_unit_of_electric_dipole_moment = 8.47835281e-30
 Electric dipole moment in atomic units.
 
constexpr double madness::constants::atomic_unit_of_electric_field = 5.14220632e11
 Electric field in atomic units.
 
constexpr double madness::constants::atomic_unit_of_electric_field_gradient = 9.71736166e21
 Electric field gradient in atomic units.
 
constexpr double madness::constants::atomic_unit_of_electric_polarizablity = 1.6487772536e-41
 Electric polarizability in atomic units.
 
constexpr double madness::constants::atomic_unit_of_electric_potential = 27.21138386
 Electric potential in atomic units.
 
constexpr double madness::constants::atomic_unit_of_electric_quadrupole_moment = 4.48655107e-40
 Electric quadrupole moment in atomic units.
 
constexpr double madness::constants::atomic_unit_of_energy = 4.35974394e-18
 Energy in atomic units.
 
constexpr double madness::constants::atomic_unit_of_force = 8.23872206e-8
 Force in atomic units.
 
constexpr double madness::constants::atomic_unit_of_length = 0.52917720859e-10
 Length in atomic units.
 
constexpr double madness::constants::atomic_unit_of_magnetic_dipole_moment = 1.854801830e-23
 Magnetic dipole moment in atomic units.
 
constexpr double madness::constants::atomic_unit_of_magnetic_flux_density = 2.350517382e5
 Magnetic flux density in atomic units.
 
constexpr double madness::constants::atomic_unit_of_magnetizability = 7.891036433e-29
 Magnetizability in atomic units.
 
constexpr double madness::constants::atomic_unit_of_mass = 9.10938215e-31
 Mass in atomic units.
 
constexpr double madness::constants::atomic_unit_of_momentum = 1.992851565e-24
 Momentum in atomic units.
 
constexpr double madness::constants::atomic_unit_of_permittivity = 1.112650056e-10
 Permittivity in atomic units.
 
constexpr double madness::constants::atomic_unit_of_time = 2.418884326505e-17
 Time in atomic units.
 
constexpr double madness::constants::atomic_unit_of_velocity = 2.1876912541e6
 Velocity in atomic units.
 
constexpr double madness::constants::au2invcm = 219474.6313705
 conversion from atomic units in reciprocal centimeter
 
constexpr double madness::constants::Avogadro_constant = 6.02214179e23
 Avogadro's number.
 
constexpr double madness::constants::Bohr_magneton = 927.400915e-26
 Bohr magneton.
 
constexpr double madness::constants::Bohr_radius = 0.52917720859e-10
 Bohr radius.
 
constexpr double madness::constants::Boltzmann_constant = 1.3806504e-23
 Boltzmann constant.
 
constexpr double madness::constants::calorie_joule_relationship = 4.184000000
 1 kcal/mol = 4.184 kJ/mol.
 
constexpr double madness::constants::Compton_wavelength = 2.4263102175e-12
 Compton wavelength.
 
constexpr double madness::constants::conductance_quantum = 7.7480917004e-5
 Quantum of conductance, $ 2e^2/h $.
 
constexpr double madness::constants::Debye = 3.335640035e-30
 Cm (coulomb metre).
 
constexpr double madness::constants::dielectric_constant = 8.854187817e-12
 the dielectric constant $\epsilon_0$, or the permittivity of vacuum
 
constexpr double madness::constants::electron_g_factor = -2.0023193043622
 Electron $g$ factor.
 
constexpr double madness::constants::electron_gyromagnetic_ratio = 1.760859770e11
 Electron gyromagnetic ratio.
 
constexpr double madness::constants::electron_magnetic_moment = -928.476377e-26
 Electron magnetic moment.
 
constexpr double madness::constants::electron_magnetic_moment_anomaly = 1.15965218111e-3
 Electron magnetic moment anomaly.
 
constexpr double madness::constants::electron_magnetic_moment_to_Bohr_magneton_ratio = -1.00115965218111
 Ratio between the electron magnetic moment and Bohr magneton.
 
constexpr double madness::constants::electron_magnetic_moment_to_nuclear_magneton_ratio = -1838.28197092
 Ratio between the electron magnetic moment and nuclear magneton.
 
constexpr double madness::constants::electron_mass = 9.10938215e-31
 Electron mass.
 
constexpr double madness::constants::electron_proton_mass_ratio = 5.4461702177e-4
 Ratio of the electron to proton mass.
 
constexpr double madness::constants::electron_volt = 1.602176487e-19
 Electron volt.
 
constexpr double madness::constants::electron_volt_hartree_relationship = 3.674932540e-2
 Electron volt to Hartree conversion.
 
constexpr double madness::constants::electron_volt_hertz_relationship = 2.417989454e14
 Electron volt to Hertz relationship.
 
constexpr double madness::constants::electron_volt_joule_relationship = 1.602176487e-19
 Electron volt to Joule relationship.
 
constexpr double madness::constants::elementary_charge = 1.602176487e-19
 Elementary charge.
 
constexpr double madness::constants::Faraday_constant = 96485.3399
 Faraday constant.
 
constexpr double madness::constants::Fermi_coupling_constant = 1.16637e-5
 Fermi coupling constant.
 
constexpr double madness::constants::fine_structure_constant = 7.2973525376e-3
 Fine structure constant.
 
constexpr double madness::constants::hartree_electron_volt_relationship = 27.21138386
 Hartree to electron volt relationship.
 
constexpr double madness::constants::Hartree_energy = 4.35974394e-18
 Hartree energy in Joules.
 
constexpr double madness::constants::hartree_hertz_relationship = 6.579683920722e15
 Hartree energy in Hertz.
 
constexpr double madness::constants::hartree_inverse_meter_relationship = 2.194746313705e7
 Hartree energy in inverse meters.
 
constexpr double madness::constants::hartree_joule_relationship = 4.35974394e-18
 Hartree energy in Joules.
 
constexpr double madness::constants::hartree_kelvin_relationship = 3.1577465e5
 Hartree energy in Kelvin.
 
constexpr double madness::constants::hertz_electron_volt_relationship = 4.13566733e-15
 Hertz energy in electron volts.
 
constexpr double madness::constants::hertz_hartree_relationship = 1.519829846006e-16
 Hertz energy in Hartrees.
 
constexpr double madness::constants::hertz_joule_relationship = 6.62606896e-34
 Hertz energy in Joules.
 
constexpr double madness::constants::hertz_kelvin_relationship = 4.7992374e-11
 Hertz energy in Kelvin.
 
constexpr double madness::constants::inv_sqrt_pi = 0.564189583547756286948079451561
 Mathematical constant $\pi^{-1/2}$.
 
constexpr double madness::constants::nuclear_magneton = 5.05078324e-27
 Nuclear magneton.
 
constexpr double madness::constants::nuclear_magneton_in_eV_per_T = 3.1524512326e-8
 Nuclear magneton in electron volts per Tesla.
 
constexpr double madness::constants::pi = 3.14159265358979323846264338328
 Mathematical constant $\pi$.
 
constexpr double madness::constants::Planck_constant = 6.62606896e-34
 Planck's constant.
 
constexpr double madness::constants::Planck_constant_over_2_pi = 1.054571628e-34
 Reduced Planck's constant.
 
constexpr double madness::constants::proton_electron_mass_ratio = 1836.15267247
 Ratio of proton to electron mass.
 
constexpr double madness::constants::proton_g_factor = 5.585694713
 Proton $ g $ factor.
 
constexpr double madness::constants::proton_gyromagnetic_ratio = 2.675222099e8
 Proton gyromagnetic ratio.
 
constexpr double madness::constants::proton_magnetic_moment = 1.410606662e-26
 Proton magnetic moment.
 
constexpr double madness::constants::proton_mass = 1.672621637e-27
 Proton mass.
 
constexpr double madness::constants::Rydberg_constant = 10973731.568527
 Rydberg constant.
 
constexpr double madness::constants::speed_of_light_in_vacuum = 299792458
 Speed of light in a vacuum.
 
constexpr double madness::constants::speed_of_light_in_vacuum_in_au = 1.0/fine_structure_constant
 speed of light in vacuum in au
 
constexpr double madness::constants::sqrt_pi = 1.77245385090551602729816748334
 Mathematical constant $\sqrt{\pi}$.
 
constexpr double madness::constants::Stefan_Boltzmann_constant = 5.670400e-8
 Stefan-Boltzmann constant.
 
constexpr double madness::constants::unified_atomic_mass_unit = 1.660538782e-27
 Unified atomic mass unit.
 

Detailed Description

Defines common mathematical and physical constants.

Todo:
We should consider a more uniform naming scheme for all of the conversion ratios.