physical_constants.c++

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/*
 *Contains physical constants and derived constants
 

    Copyright (C) 2010 Joseph Pingenot

    This program is free software: you can redistribute it and/or modify
    it under the terms of the GNU Affero General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.

    This program is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    GNU Affero General Public License for more details.

    You should have received a copy of the GNU Affero General Public License
    along with this program.  If not, see <http://www.gnu.org/licenses/>.

*/

#ifndef __PHYSICAL_CONSTANTS_HXX___
#define __PHYSICAL_CONSTANTS_HXX___

#include <libkdotp/gcc_hints.h>

namespace kdp {
  namespace constants {

/*Sources are NIST*/

/*hbar, in eV s*/
double hbar = 6.58211899e-16;
/*Speed of light in m/s*/
double c = 299792458;
/*mass of electron in eV s^2 m^-2*/
double m0 = 0.510998910e6/c/c;
/*Magnitude of the charge of the electron in C*/
double e = 1.602176487e-19;
/*Charge of the elecron in C*/
double q_e = -e;
/*vacuum dielectric constant F/m*/
double epsilon0 = 8.854187817e-12;

/*Hartree/eV*/
double ev_in_hartree = 1.0/27.21138386;
/*eV/Hartree*/
double hartree_in_ev = 27.21138386;
double bohr_in_meters = 0.529177208e-10;
double bohr_in_nmeters = 0.529177208e-1;

___const double ev_to_hartree(double ev) {
  return ev * ev_in_hartree;
}

___const double hartree_to_ev(double hartree) {
  return hartree * hartree_in_ev;
}

___const double bohr_to_m(double bohr) {
  return bohr*bohr_in_meters;
}

___const double m_to_bohr(double m) {
  return m/bohr_in_meters;
}

___const double bohr_to_nm(double bohr) {
  return bohr*bohr_in_nmeters;
}

___const double nm_to_bohr(double nm) {
  return nm/bohr_in_nmeters;
}

  }
}

#endif