ampsci
High-precision calculations for one- and two-valence atomic systems
UnitConv_conversions.hpp
1#pragma once
2#include "Physics/PhysConst_constants.hpp"
3
4//! Unit conversions. Simple uses @ref PhysConst; just for convenience
5namespace UnitConv {
6
7//! energy: au -> keV
8constexpr double Energy_au_to_keV = PhysConst::Hartree_eV / 1.0e3;
9//! energy: keV -> au
10constexpr double Energy_keV_to_au = 1.0 / Energy_au_to_keV;
11
12//! energy: au -> keV
14//! energy: keV -> au
15constexpr double Energy_eV_to_au = 1.0 / Energy_au_to_eV;
16
17//! energy: cm^-1 -> au
19
20//! momentum: au -> MeV: [hbar*q] = [hbar/a0] = (m_e*c*alpha) = E_H/c*alpha
21constexpr double Momentum_au_to_MeV =
23//! momentum: MeV -> au
24constexpr double Momentum_MeV_to_au = 1.0 / Momentum_au_to_MeV;
25
26//! momentum: au -> eV: [hbar*q] = [hbar/a0] = (m_e*c*alpha) = E_H/c*alpha
28//! momentum: eV -> au
29constexpr double Momentum_eV_to_au = 1.0 / Momentum_au_to_eV;
30
31//! mass: au -> GeV
32constexpr double Mass_au_to_GeV = PhysConst::m_e_MeV / 1000.0;
33//! mass: au -> MeV
35//! mass: GeV -> au
36constexpr double Mass_GeV_to_au = 1.0 / Mass_au_to_GeV;
37//! mass: MeV -> au
38constexpr double Mass_MeV_to_au = 1.0 / Mass_au_to_MeV;
39
40//! velocity: au -> km/s
41constexpr double Velocity_au_to_kms = (PhysConst::c_SI / PhysConst::c) / 1.0e3;
42//! velocity: au -> cm/s
43constexpr double Velocity_au_to_cms =
45//! velocity: cm/s -> cm/day
46constexpr double Velocity_au_to_cmday =
47 Velocity_au_to_cms * (24.0 * 60.0 * 60.0);
48
49//! atomic mass: daltons -> kg
51
52} // 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
Unit conversions. Simple uses PhysConst; just for convenience.
Definition UnitConv_conversions.hpp:5
constexpr double Energy_au_to_keV
energy: au -> keV
Definition UnitConv_conversions.hpp:8
constexpr double Mass_GeV_to_au
mass: GeV -> au
Definition UnitConv_conversions.hpp:36
constexpr double Energy_au_to_eV
energy: au -> keV
Definition UnitConv_conversions.hpp:13
constexpr double Momentum_au_to_MeV
momentum: au -> MeV: [hbar*q] = [hbar/a0] = (m_e*c*alpha) = E_H/c*alpha
Definition UnitConv_conversions.hpp:21
constexpr double Momentum_MeV_to_au
momentum: MeV -> au
Definition UnitConv_conversions.hpp:24
constexpr double Velocity_au_to_cms
velocity: au -> cm/s
Definition UnitConv_conversions.hpp:43
constexpr double Energy_eV_to_au
energy: keV -> au
Definition UnitConv_conversions.hpp:15
constexpr double Mass_au_to_MeV
mass: au -> MeV
Definition UnitConv_conversions.hpp:34
constexpr double Velocity_au_to_cmday
velocity: cm/s -> cm/day
Definition UnitConv_conversions.hpp:46
constexpr double Momentum_au_to_eV
momentum: au -> eV: [hbar*q] = [hbar/a0] = (m_e*c*alpha) = E_H/c*alpha
Definition UnitConv_conversions.hpp:27
constexpr double Velocity_au_to_kms
velocity: au -> km/s
Definition UnitConv_conversions.hpp:41
constexpr double Mass_au_to_GeV
mass: au -> GeV
Definition UnitConv_conversions.hpp:32
constexpr double Momentum_eV_to_au
momentum: eV -> au
Definition UnitConv_conversions.hpp:29
constexpr double Energy_invcm_to_au
energy: cm^-1 -> au
Definition UnitConv_conversions.hpp:18
constexpr double AtomicMass_u_to_kg
atomic mass: daltons -> kg
Definition UnitConv_conversions.hpp:50
constexpr double Mass_MeV_to_au
mass: MeV -> au
Definition UnitConv_conversions.hpp:38
constexpr double Energy_keV_to_au
energy: keV -> au
Definition UnitConv_conversions.hpp:10