Namespace qdk::chemistry::constants::codata_2022

namespace codata_2022

CODATA 2022 recommended values for fundamental physical constants.

Constants from the 2022 CODATA recommended values of the fundamental physical constants: https://physics.nist.gov/cuu/Constants/. :cite:Mohr2025

Variables

static constexpr double angstrom_to_bohr = 1.0 / bohr_to_angstrom

static constexpr double atomic_mass_constant = 1.66053906892e-27

static constexpr double avogadro_constant = 6.02214076e23

static constexpr double bohr_to_angstrom = 0.529177210544

static constexpr double boltzmann_constant = 1.380649e-23

static constexpr double electron_mass = 9.1093837139e-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 = 7.2973525643e-3

static constexpr double hartree_to_ev = 27.211386245981

static constexpr double hartree_to_kcal_per_mol = hartree_to_kj_per_mol / 4.184

static constexpr double hartree_to_kj_per_mol = hartree_to_ev * 1.602176634 * 6.02214076 * 10

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 = 1.67492750056e-27

static constexpr double planck_constant = 6.62607015e-34

static constexpr double proton_mass = 1.67262192595e-27

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

static constexpr double speed_of_light = 299792458.0