Defines common mathematical and physical constants. More...

Namespaces
namespace	madness
	Namespace for all elements and tools of MADNESS.

namespace	madness::constants
	Namespace storing mathematical and physical constants.

Variables
const double	madness::constants::atomic_mass_constant = 1.660538782e-27
	Mass constant in atomic units.

const double	madness::constants::atomic_mass_in_au = 1822.88848
	Atomic mass in atomic units.

const double	madness::constants::atomic_unit_of_1st_hyperpolarizablity = 3.206361533e-53
	First hyperpolarizability in atomic units.

const double	madness::constants::atomic_unit_of_2nd_hyperpolarizablity = 6.23538095e-65
	Second hyperpolarizability in atomic units.

const double	madness::constants::atomic_unit_of_action = 1.054571628e-34
	Action in atomic units.

const double	madness::constants::atomic_unit_of_charge = 1.602176487e-19
	Charge in atomic units.

const double	madness::constants::atomic_unit_of_charge_density = 1.081202300e12
	Charge density in atomic units.

const double	madness::constants::atomic_unit_of_current = 6.62361763e-3
	Current in atomic units.

const double	madness::constants::atomic_unit_of_electric_dipole_moment = 8.47835281e-30
	Electric dipole moment in atomic units.

const double	madness::constants::atomic_unit_of_electric_field = 5.14220632e11
	Electric field in atomic units.

const double	madness::constants::atomic_unit_of_electric_field_gradient = 9.71736166e21
	Electric field gradient in atomic units.

const double	madness::constants::atomic_unit_of_electric_polarizablity = 1.6487772536e-41
	Electric polarizability in atomic units.

const double	madness::constants::atomic_unit_of_electric_potential = 27.21138386
	Electric potential in atomic units.

const double	madness::constants::atomic_unit_of_electric_quadrupole_moment = 4.48655107e-40
	Electric quadrupole moment in atomic units.

const double	madness::constants::atomic_unit_of_energy = 4.35974394e-18
	Energy in atomic units.

const double	madness::constants::atomic_unit_of_force = 8.23872206e-8
	Force in atomic units.

const double	madness::constants::atomic_unit_of_length = 0.52917720859e-10
	Length in atomic units.

const double	madness::constants::atomic_unit_of_magnetic_dipole_moment = 1.854801830e-23
	Magnetic dipole moment in atomic units.

const double	madness::constants::atomic_unit_of_magnetic_flux_density = 2.350517382e5
	Magnetic flux density in atomic units.

const double	madness::constants::atomic_unit_of_magnetizability = 7.891036433e-29
	Magnetizability in atomic units.

const double	madness::constants::atomic_unit_of_mass = 9.10938215e-31
	Mass in atomic units.

const double	madness::constants::atomic_unit_of_momentum = 1.992851565e-24
	Momentum in atomic units.

const double	madness::constants::atomic_unit_of_permittivity = 1.112650056e-10
	Permittivity in atomic units.

const double	madness::constants::atomic_unit_of_time = 2.418884326505e-17
	Time in atomic units.

const double	madness::constants::atomic_unit_of_velocity = 2.1876912541e6
	Velocity in atomic units.

const double	madness::constants::au2invcm = 219474.6313705
	conversion from atomic units in reciprocal centimeter

const double	madness::constants::Avogadro_constant = 6.02214179e23
	Avogadro's number.

const double	madness::constants::Bohr_magneton = 927.400915e-26
	Bohr magneton.

const double	madness::constants::Bohr_radius = 0.52917720859e-10
	Bohr radius.

const double	madness::constants::Boltzmann_constant = 1.3806504e-23
	Boltzmann constant.

const double	madness::constants::calorie_joule_relationship = 4.184000000
	1 kcal/mol = 4.184 kJ/mol.

const double	madness::constants::Compton_wavelength = 2.4263102175e-12
	Compton wavelength.

const double	madness::constants::conductance_quantum = 7.7480917004e-5
	Quantum of conductance, .

const double	madness::constants::Debye = 3.335640035e-30
	Cm (coulomb metre).

const double	madness::constants::dielectric_constant = 8.854187817e-12
	the dielectric constant $\epsilon_0$ , or the permittivity of vacuum

const double	madness::constants::electron_g_factor = -2.0023193043622
	Electron factor.

const double	madness::constants::electron_gyromagnetic_ratio = 1.760859770e11
	Electron gyromagnetic ratio.

const double	madness::constants::electron_magnetic_moment = -928.476377e-26
	Electron magnetic moment.

const double	madness::constants::electron_magnetic_moment_anomaly = 1.15965218111e-3
	Electron magnetic moment anomaly.

const double	madness::constants::electron_magnetic_moment_to_Bohr_magneton_ratio = -1.00115965218111
	Ratio between the electron magnetic moment and Bohr magneton.

const double	madness::constants::electron_magnetic_moment_to_nuclear_magneton_ratio = -1838.28197092
	Ratio between the electron magnetic moment and nuclear magneton.

const double	madness::constants::electron_mass = 9.10938215e-31
	Electron mass.

const double	madness::constants::electron_proton_mass_ratio = 5.4461702177e-4
	Ratio of the electron to proton mass.

const double	madness::constants::electron_volt = 1.602176487e-19
	Electron volt.

const double	madness::constants::electron_volt_hartree_relationship = 3.674932540e-2
	Electron volt to Hartree conversion.

const double	madness::constants::electron_volt_hertz_relationship = 2.417989454e14
	Electron volt to Hertz relationship.

const double	madness::constants::electron_volt_joule_relationship = 1.602176487e-19
	Electron volt to Joule relationship.

const double	madness::constants::elementary_charge = 1.602176487e-19
	Elementary charge.

const double	madness::constants::Faraday_constant = 96485.3399
	Faraday constant.

const double	madness::constants::Fermi_coupling_constant = 1.16637e-5
	Fermi coupling constant.

const double	madness::constants::fine_structure_constant = 7.2973525376e-3
	Fine structure constant.

const double	madness::constants::hartree_electron_volt_relationship = 27.21138386
	Hartree to electron volt relationship.

const double	madness::constants::Hartree_energy = 4.35974394e-18
	Hartree energy in Joules.

const double	madness::constants::hartree_hertz_relationship = 6.579683920722e15
	Hartree energy in Hertz.

const double	madness::constants::hartree_inverse_meter_relationship = 2.194746313705e7
	Hartree energy in inverse meters.

const double	madness::constants::hartree_joule_relationship = 4.35974394e-18
	Hartree energy in Joules.

const double	madness::constants::hartree_kelvin_relationship = 3.1577465e5
	Hartree energy in Kelvin.

const double	madness::constants::hertz_electron_volt_relationship = 4.13566733e-15
	Hertz energy in electron volts.

const double	madness::constants::hertz_hartree_relationship = 1.519829846006e-16
	Hertz energy in Hartrees.

const double	madness::constants::hertz_joule_relationship = 6.62606896e-34
	Hertz energy in Joules.

const double	madness::constants::hertz_kelvin_relationship = 4.7992374e-11
	Hertz energy in Kelvin.

const double	madness::constants::nuclear_magneton = 5.05078324e-27
	Nuclear magneton.

const double	madness::constants::nuclear_magneton_in_eV_per_T = 3.1524512326e-8
	Nuclear magneton in electron volts per Tesla.

const double	madness::constants::pi = 3.14159265358979323846264338328
	Mathematical constant $\pi$ .

const double	madness::constants::Planck_constant = 6.62606896e-34
	Planck's constant.

const double	madness::constants::Planck_constant_over_2_pi = 1.054571628e-34
	Reduced Planck's constant.

const double	madness::constants::proton_electron_mass_ratio = 1836.15267247
	Ratio of proton to electron mass.

const double	madness::constants::proton_g_factor = 5.585694713
	Proton factor.

const double	madness::constants::proton_gyromagnetic_ratio = 2.675222099e8
	Proton gyromagnetic ratio.

const double	madness::constants::proton_magnetic_moment = 1.410606662e-26
	Proton magnetic moment.

const double	madness::constants::proton_mass = 1.672621637e-27
	Proton mass.

const double	madness::constants::Rydberg_constant = 10973731.568527
	Rydberg constant.

const double	madness::constants::speed_of_light_in_vacuum = 299792458
	Speed of light in a vacuum.

const double	madness::constants::speed_of_light_in_vacuum_in_au = 1.0/fine_structure_constant
	speed of light in vacuum in au

const double	madness::constants::Stefan_Boltzmann_constant = 5.670400e-8
	Stefan-Boltzmann constant.

const 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.

Namespaces

Variables

Detailed Description