paramtool/const.h at main · Qianruipku/paramtool · GitHub

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#include <complex>
#include <cmath>
using namespace std;

#ifndef CONST_H
#define CONST_H

//basis

constexpr double P_bohr = 0.52917721067;
constexpr double P_NA = 6.02214076e23;
constexpr double P_qe = 1.6021766208e-19;
constexpr double P_Me = 9.1093897e-31;
constexpr double P_kB = 1.3806505e-23;
constexpr double P_h = 6.62607015e-34;
constexpr double P_hbar = P_h/2/M_PI; //1.054571817646e-34
constexpr double P_epsilon = 8.854187817e-12;

constexpr double Ha2eV = P_hbar*P_hbar/(P_bohr * P_bohr * 1e-20)/P_Me/P_qe; //27.21136857564
constexpr double Ry2eV = Ha2eV/2; //13.60568428782
constexpr double eV2K = P_qe/P_kB;  //11604.518026

//Hartree atomic unit

constexpr double hau2m = P_bohr * 1e-10;
constexpr double hau2s = P_hbar/Ha2eV/P_qe;
constexpr double hau2kg = P_Me;
constexpr double hau2J = Ha2eV * P_qe;
constexpr double hau2A = P_qe / hau2s; //electric current：ampere
constexpr double hau2K = Ha2eV * eV2K;

//Rydberg atomic unit

constexpr double rau2m = P_bohr * 1e-10;
constexpr double rau2s = P_hbar/Ry2eV/P_qe; //4.837771834548454e-17
constexpr double rau2kg = 2 * P_Me;
constexpr double rau2J = Ry2eV * P_qe;
constexpr double rau2A = P_qe / rau2s;
constexpr double rau2K = Ry2eV * eV2K;


#endif