Julia Physics Notebook Start.jl

# 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*