ampsci
High-precision calculations for one- and two-valence atomic systems
UnitConv_conversions.hpp
1#pragma once
2#include "Physics/PhysConst_constants.hpp"
3
4namespace UnitConv {
5
6//! energy: au -> keV
7constexpr double Energy_au_to_keV = PhysConst::Hartree_eV / 1.0e3;
8//! energy: keV -> au
9constexpr double Energy_keV_to_au = 1.0 / Energy_au_to_keV;
10
11//! energy: au -> keV
12constexpr double Energy_au_to_eV = PhysConst::Hartree_eV;
13//! energy: keV -> au
14constexpr double Energy_eV_to_au = 1.0 / Energy_au_to_eV;
15
16//! energy: cm^-1 -> au
17constexpr double Energy_invcm_to_au = 1.0 / PhysConst::Hartree_invcm;
18
19//! momentum: au -> MeV: [hbar*q] = [hbar/a0] = (m_e*c*alpha) = E_H/c*alpha
20constexpr double Momentum_au_to_MeV =
22//! momentum: MeV -> au
23constexpr double Momentum_MeV_to_au = 1.0 / Momentum_au_to_MeV;
24
25//! momentum: au -> eV: [hbar*q] = [hbar/a0] = (m_e*c*alpha) = E_H/c*alpha
26constexpr double Momentum_au_to_eV = PhysConst::Hartree_eV / PhysConst::alpha;
27//! momentum: eV -> au
28constexpr double Momentum_eV_to_au = 1.0 / Momentum_au_to_eV;
29
30//! mass: au -> GeV
31constexpr double Mass_au_to_GeV = PhysConst::m_e_MeV / 1000.0;
32//! mass: au -> MeV
33constexpr double Mass_au_to_MeV = PhysConst::m_e_MeV;
34//! mass: GeV -> au
35constexpr double Mass_GeV_to_au = 1.0 / Mass_au_to_GeV;
36//! mass: MeV -> au
37constexpr double Mass_MeV_to_au = 1.0 / Mass_au_to_MeV;
38
39//! velocity: au -> km/s
40constexpr double Velocity_au_to_kms = (PhysConst::c_SI / PhysConst::c) / 1.0e3;
41//! velocity: au -> cm/s
42constexpr double Velocity_au_to_cms =
44//! velocity: cm/s -> cm/day
45constexpr double Velocity_au_to_cmday =
46 Velocity_au_to_cms * (24.0 * 60.0 * 60.0);
47
48//! atomic mass: daltons -> kg
49constexpr double AtomicMass_u_to_kg = PhysConst::u_NMU * PhysConst::m_e_kg;
50
51} // namespace UnitConv
constexpr double Hartree_invcm
Hartree to cm^-1 conversion [wave-number, inverse cm]:
Definition PhysConst_constants.hpp:87
constexpr double Hartree_eV
Hartree (atomic energy unit = 2Ry) in eV, 27.211 386 245 981(30) eV [CODATA 2022].
Definition PhysConst_constants.hpp:51
constexpr double alpha
Fine-structure constant: alpha = 1/137.035 999 177(21) [CODATA 2022].
Definition PhysConst_constants.hpp:24
constexpr double m_e_kg
electron mass, in SI (kg)
Definition PhysConst_constants.hpp:33
constexpr double m_e_MeV
Electron mass (MeV/c^2)
Definition PhysConst_constants.hpp:70
constexpr double u_NMU
unified atomic mass unit; (nuclear mass unit, Dalton): au
Definition PhysConst_constants.hpp:73
constexpr double c_SI
c, speed of light: 299 792 458 m/s [exact]
Definition PhysConst_constants.hpp:12
constexpr double c
speed of light in a.u. (=1/alpha)
Definition PhysConst_constants.hpp:63