#!/usr/bin/python
# Constants
# =============================================================================
# Avogadro constant [1/mol]
N_A = 6.022e23
# Bohr's Magneton [J/T]
mu_bohr = 9.274009994e-24
# Bohr radius [m]
a0 = 5.2917721067e-11
# Boltzmann constant [J/K]
k_B = 1.38064852e-23
# Dielectric constant in vacuum [C / V / m]
eps0 = 8.854e-12
# Electronvolt [J]
eV = 1.6021766208e-19
# Electron mass [kg]
m_e = 9.10938356e-31
# Planck's constant [J * s]
h = 6.626070040e-34
# reduced Planck's constant [J * s]
hbar = h / (2 * 3.14159265358979)
# reduced Planck's constant [eV * s]
hbar_eV = hbar / eV
# Rydberg constant [1 / m]
R_const = 10973731.56816
# Speed of light [m / s]
c = 299792458.0
# Universal Gas constant [J / K / mol]
R = 8.3144598
# Dependent constants
# =============================================================================
# Electronvolt-nanometer conversion for light; 1239.84197
eV_nm_conversion = h * c / eV * 1e9
# Rydberg energy unit [eV]
Ry = 13.605703976
# Utilities
# =============================================================================
[docs]
def convert_eV_nm(eV_or_nm: float) -> float:
"""
Convert between electronvolt and nanometers for electromagnetic waves.
The conversion follows from :math:`E = h*c/\lambda` and is simply::
nm_or_eV = 1239.84193 / eV_or_nm
:param eV_or_nm: value in [eV] or [nm] to be converted.
:return: if [eV] were given, this is the corresponding value in
[nm], and vice versa.
"""
nm_or_eV = eV_nm_conversion / eV_or_nm
return nm_or_eV
[docs]
def Ry2eV(erg: float) -> float:
"""
Convert rydberg energy units to electronvolt
The conversion follows that 1 Ry = 13.6(...) eV
:param erg: value in [eV] or [Ry] to be converted.
:return: if [eV] were given, this is the corresponding value in [Ry],
and vice versa.
"""
return erg * Ry