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# Physics Constants for electronic structure + stat physics | |
# defined as const to help with type stability | |
# 2016-07 - Updated accuracy from https://github.com/DataWookie/PhysicalConstants.jl | |
const c = 2.99792458e8; # m / s # speed of light in this universe | |
#const G = 6.673e-11; # m^3 / kg s^2 | |
const h= 6.62606896e-34; # kg m^2 / s | |
const hbar = const ħ = 1.05457162825e-34; # kg m^2 / s | |
const eV = const q = const ElectronVolt = 1.602176487e-19; # kg m^2 / s^2 | |
const MassElectron = 9.10938188e-31; # kg | |
const MassMuon = 1.88353109e-28; # kg | |
const MassProton = 1.67262158e-27; # kg | |
const MassNeutron = 1.67492716e-27; # kg | |
const UnifiedAtomicMass = 1.660538782e-27; # kg | |
const ε_0 = const VacuumPermittivity = 8.854187817e-12; # A^2 s^4 / kg m^3 | |
const VacuumPermeability = 1.25663706144e-6; # kg m / a^2 s^2 | |
const Debye = 3.33564095198e-30; # A s^2 / m^2 | |
const Gauss = 1e-4; # kg / A s^2 | |
const Rydberg = 2.17987196968e-18; # kg m^2 / s^2 | |
const Boltzmann = const kB = 1.3806504e-23; # kg m^2 / K s^2 | |
# Define derivative types. Maybe I shouldn't use these? Useful sometimes though! | |
const hbareV = const ħeV = hbar/eV #eV energy units | |
const kBeV = kB/eV # in units of eV | |
# Units | |
const Å=1E-10 # Angstrom | |
const HartreeJ = 4.359744650e-18 # J | |
const HartreeeV = 27.21138602 # eV | |
# System specifics + derived quantities | |
#T=300 # Temperature; Kelvin | |
#β=1/(kB*T) # Thermodynamic Beta; units | |
# MAPI Specifics | |
r=6.29Å # Sensible figure for MA for consistency; AW | |
D1=2.18Debye #Methyl-Ammonia; b3lyp/6-31g* |
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