40 #ifndef MADNESS_CONSTANTS_H
41 #define MADNESS_CONSTANTS_H
48 const double pi = 3.14159265358979323846264338328;
55 const double Debye = 3.335640035e-30 ;
const double hartree_hertz_relationship
Hartree energy in Hertz.
Definition: constants.h:206
const double electron_volt_hertz_relationship
Electron volt to Hertz relationship.
Definition: constants.h:182
const double atomic_unit_of_electric_quadrupole_moment
Electric quadrupole moment in atomic units.
Definition: constants.h:86
const double atomic_unit_of_2nd_hyperpolarizablity
Second hyperpolarizability in atomic units.
Definition: constants.h:68
const double atomic_unit_of_charge_density
Charge density in atomic units.
Definition: constants.h:77
const double proton_mass
Proton mass.
Definition: constants.h:254
const double hartree_inverse_meter_relationship
Hartree energy in inverse meters.
Definition: constants.h:209
const double atomic_unit_of_energy
Energy in atomic units.
Definition: constants.h:101
const double atomic_unit_of_action
Action in atomic units.
Definition: constants.h:71
const double electron_volt_joule_relationship
Electron volt to Joule relationship.
Definition: constants.h:185
const double fine_structure_constant
Fine structure constant.
Definition: constants.h:197
const double atomic_unit_of_time
Time in atomic units.
Definition: constants.h:128
const double nuclear_magneton_in_eV_per_T
Nuclear magneton in electron volts per Tesla.
Definition: constants.h:233
const double atomic_unit_of_electric_dipole_moment
Electric dipole moment in atomic units.
Definition: constants.h:83
const double atomic_unit_of_force
Force in atomic units.
Definition: constants.h:104
const double Avogadro_constant
Avogadro's number.
Definition: constants.h:134
const double atomic_unit_of_1st_hyperpolarizablity
First hyperpolarizability in atomic units.
Definition: constants.h:65
const double electron_magnetic_moment_to_nuclear_magneton_ratio
Ratio between the electron magnetic moment and nuclear magneton.
Definition: constants.h:167
const double atomic_unit_of_charge
Charge in atomic units.
Definition: constants.h:74
const double atomic_unit_of_magnetic_dipole_moment
Magnetic dipole moment in atomic units.
Definition: constants.h:110
const double atomic_unit_of_electric_field_gradient
Electric field gradient in atomic units.
Definition: constants.h:92
const double electron_magnetic_moment_to_Bohr_magneton_ratio
Ratio between the electron magnetic moment and Bohr magneton.
Definition: constants.h:164
const double Hartree_energy
Hartree energy in Joules.
Definition: constants.h:203
const double proton_gyromagnetic_ratio
Proton gyromagnetic ratio.
Definition: constants.h:248
const double hertz_hartree_relationship
Hertz energy in Hartrees.
Definition: constants.h:221
const double electron_gyromagnetic_ratio
Electron gyromagnetic ratio.
Definition: constants.h:155
const double proton_electron_mass_ratio
Ratio of proton to electron mass.
Definition: constants.h:242
const double Fermi_coupling_constant
Fermi coupling constant.
Definition: constants.h:194
const double electron_volt_hartree_relationship
Electron volt to Hartree conversion.
Definition: constants.h:179
const double hertz_electron_volt_relationship
Hertz energy in electron volts.
Definition: constants.h:218
const double atomic_unit_of_current
Current in atomic units.
Definition: constants.h:80
const double elementary_charge
Elementary charge.
Definition: constants.h:188
const double Bohr_magneton
Bohr magneton.
Definition: constants.h:137
const double hertz_kelvin_relationship
Hertz energy in Kelvin.
Definition: constants.h:227
const double hartree_joule_relationship
Hartree energy in Joules.
Definition: constants.h:212
const double electron_g_factor
Electron factor.
Definition: constants.h:152
const double speed_of_light_in_vacuum
Speed of light in a vacuum.
Definition: constants.h:260
const double electron_volt
Electron volt.
Definition: constants.h:176
const double hartree_kelvin_relationship
Hartree energy in Kelvin.
Definition: constants.h:215
const double au2invcm
conversion from atomic units in reciprocal centimeter
Definition: constants.h:272
const double pi
Mathematical constant .
Definition: constants.h:48
const double atomic_mass_constant
Mass constant in atomic units.
Definition: constants.h:62
const double atomic_unit_of_mass
Mass in atomic units.
Definition: constants.h:119
const double Planck_constant_over_2_pi
Reduced Planck's constant.
Definition: constants.h:239
const double atomic_unit_of_velocity
Velocity in atomic units.
Definition: constants.h:131
const double calorie_joule_relationship
1 kcal/mol = 4.184 kJ/mol.
Definition: constants.h:53
const double atomic_mass_in_au
Atomic mass in atomic units.
Definition: constants.h:269
const double nuclear_magneton
Nuclear magneton.
Definition: constants.h:230
const double atomic_unit_of_magnetic_flux_density
Magnetic flux density in atomic units.
Definition: constants.h:113
const double dielectric_constant
the dielectric constant , or the permittivity of vacuum
Definition: constants.h:275
const double electron_magnetic_moment_anomaly
Electron magnetic moment anomaly.
Definition: constants.h:161
const double electron_mass
Electron mass.
Definition: constants.h:170
const double Planck_constant
Planck's constant.
Definition: constants.h:236
const double atomic_unit_of_electric_field
Electric field in atomic units.
Definition: constants.h:89
const double Boltzmann_constant
Boltzmann constant.
Definition: constants.h:143
const double Debye
Cm (coulomb metre).
Definition: constants.h:55
const double electron_magnetic_moment
Electron magnetic moment.
Definition: constants.h:158
const double Compton_wavelength
Compton wavelength.
Definition: constants.h:146
const double atomic_unit_of_magnetizability
Magnetizability in atomic units.
Definition: constants.h:116
const double atomic_unit_of_electric_polarizablity
Electric polarizability in atomic units.
Definition: constants.h:95
const double Bohr_radius
Bohr radius.
Definition: constants.h:140
const double hartree_electron_volt_relationship
Hartree to electron volt relationship.
Definition: constants.h:200
const double proton_magnetic_moment
Proton magnetic moment.
Definition: constants.h:251
const double atomic_unit_of_permittivity
Permittivity in atomic units.
Definition: constants.h:125
const double Faraday_constant
Faraday constant.
Definition: constants.h:191
const double conductance_quantum
Quantum of conductance, .
Definition: constants.h:149
const double electron_proton_mass_ratio
Ratio of the electron to proton mass.
Definition: constants.h:173
const double proton_g_factor
Proton factor.
Definition: constants.h:245
const double speed_of_light_in_vacuum_in_au
speed of light in vacuum in au
Definition: constants.h:278
const double unified_atomic_mass_unit
Unified atomic mass unit.
Definition: constants.h:266
const double atomic_unit_of_momentum
Momentum in atomic units.
Definition: constants.h:122
const double hertz_joule_relationship
Hertz energy in Joules.
Definition: constants.h:224
const double atomic_unit_of_electric_potential
Electric potential in atomic units.
Definition: constants.h:98
const double Rydberg_constant
Rydberg constant.
Definition: constants.h:257
const double Stefan_Boltzmann_constant
Stefan-Boltzmann constant.
Definition: constants.h:263
const double atomic_unit_of_length
Length in atomic units.
Definition: constants.h:107
File holds all helper structures necessary for the CC_Operator and CC2 class.
Definition: DFParameters.h:10