Namespace qdk::chemistry::constants::codata_2014

namespace codata_2014

CODATA 2014 recommended values for fundamental physical constants.

Constants from the 2014 CODATA recommended values of the fundamental physical constants: https://physics.nist.gov/cuu/Constants/. :cite:Mohr2016

Variables

static constexpr double angstrom_to_bohr = 1.0 / bohr_to_angstrom

static constexpr double atomic_mass_constant = 1.660539040e-27

static constexpr double avogadro_constant = 6.022140857e23

static constexpr double bohr_to_angstrom = 0.52917721067

static constexpr double boltzmann_constant = 1.38064852e-23

static constexpr double electron_mass = 9.10938356e-31

static constexpr double elementary_charge = 1.6021766208e-19

static constexpr double ev_to_hartree = 1.0 / hartree_to_ev

static constexpr double fine_structure_constant = 7.2973525664e-3

static constexpr double hartree_to_ev = 27.21138602

static constexpr double hartree_to_kcal_per_mol = 627.509474

static constexpr double hartree_to_kj_per_mol = 2625.49964

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 = 1.674927471e-27

static constexpr double planck_constant = 6.626070040e-34

static constexpr double proton_mass = 1.672621898e-27

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

static constexpr double speed_of_light = 299792458.0