Namespace qdk::chemistry::constants::codata_2018

namespace codata_2018

CODATA 2018 recommended values for fundamental physical constants.

Constants from the 2018 CODATA recommended values of the fundamental physical constants: https://physics.nist.gov/cuu/Constants/. :cite:Tiesinga2021

Variables

static constexpr double angstrom_to_bohr = 1.0 / bohr_to_angstrom

static constexpr double atomic_mass_constant = 1.66053906660e-27

static constexpr double avogadro_constant = 6.02214076e23

static constexpr double bohr_to_angstrom = 0.529177210903

static constexpr double boltzmann_constant = 1.380649e-23

static constexpr double electron_mass = 9.1093837015e-31

static constexpr double elementary_charge = 1.602176634e-19

static constexpr double ev_to_hartree = 1.0 / hartree_to_ev

static constexpr double fine_structure_constant = 7.2973525693e-3

static constexpr double hartree_to_ev = 27.211386245988

static constexpr double hartree_to_kcal_per_mol = 627.5094736

static constexpr double hartree_to_kj_per_mol = 2625.4996395

static constexpr double kcal_per_mol_to_hartree = 1.0 / hartree_to_kcal_per_mol

static constexpr double kj_per_mol_to_hartree = 1.0 / hartree_to_kj_per_mol

static constexpr double neutron_mass = 1.67492749804e-27

static constexpr double planck_constant = 6.62607015e-34

static constexpr double proton_mass = 1.67262192369e-27

static constexpr double reduced_planck_constant = planck_constant / (2.0 * 3.14159265358979323846)

static constexpr double speed_of_light = 299792458.0