GitHub topics: hartree-fock-methods
Leticia-maria/QuantumFoca.jl 📦
A repository for calculating Molecular Integrals, based on O-ohata method (1966) and Macmurchie-Davidson (1971)
Language: Julia - Size: 349 MB - Last synced at: about 1 month ago - Pushed at: almost 2 years ago - Stars: 43 - Forks: 3
aromanro/PythonCompphys
Some python workbooks with various topics from Computational Physics
Language: Jupyter Notebook - Size: 62.4 MB - Last synced at: about 2 months ago - Pushed at: about 2 years ago - Stars: 59 - Forks: 12
SoumenChem/semiemp
SEMIEMP:Open source code for semiempirical qunatum chemistry calculations
Language: Fortran - Size: 1.15 MB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 4 - Forks: 0
zronyj/metodosqm
Funciones para la evaluaciĂłn energĂ©tica y gráficas de los diferentes casos que se estudian en QuĂmica Cuántica
Language: Python - Size: 918 KB - Last synced at: almost 2 years ago - Pushed at: over 7 years ago - Stars: 2 - Forks: 0
SSiwach/Current_Research_Work
Current Research Work - Nuclear Shell Model - Developing effective interaction for fpg9/2d5/2 model space and Study of Double Gamow-Teller and Double beta decay Strength
Language: Jupyter Notebook - Size: 17.4 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 1
JayLau123/Quantum-Chemistry
Use computational chemistry method and HF theory to build a model of atoms and molecules.
Language: Jupyter Notebook - Size: 53 MB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
piotrfutymski/Hartree-Fock-App-Linux
Hartree fock method implementation
Language: C++ - Size: 21.5 MB - Last synced at: about 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0
knappf/EMPM_MPI
Set of Fortran codes for TDA, 2 and 3 -phonon diagonalization of nuclear Hamiltonian within Equation-of-motion Phonon Method
Language: Fortran - Size: 4.34 MB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 2 - Forks: 1
bineet-dash/hartree-fock
A project to study Hartree-Fock technique in 1-D
Language: C++ - Size: 55.7 KB - Last synced at: about 2 years ago - Pushed at: over 7 years ago - Stars: 0 - Forks: 0
