lcao

There are 0 repository under lcao topic.

lrgresearch / gpaw-tools
gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calculations
gpaw dft lcao paw gui scripts-collection
Language:Python 18
LaurentNevou / Q_band_ZB
Computes the electronic band structure of Zinc Blende semiconductor
semiconductor zinc-blende band band-structure band-diagram schrodinger schroedinger epm lcao tight-binding kp dkk 8-bands luttinger sp3s pseudopotentials electronic-structure photonics optoelectronics
Language:MATLAB 15
dzik143 / hfr-cpp
[ARCHIVE/2009] Hartree-Fock-Roothan (C++)
quantum-chemistry hartree-fock gto gaussian-orbitals lcao contracted-gto molecular-integrals cplusplus
Language:C++ 1
dzik143 / hfr-f77
[ARCHIVE/2008] Hartree-Fock-Roothan method (F77)
quantum-chemistry quantum-chemistry-programs hartree-fock gto gaussian-orbitals lcao molecular-integrals fortran77 public-domain
Language:Fortran 1
tildekara / Band_structure_of_graphene
Quantum methods of solid state physics program showing band structure od 2-dimentional carbon crystal - graphene. It's calculated using method of tight binding (TB).
bandstructure graphene tight-binding lcao
Language:Jupyter Notebook 1

lrgresearch / gpaw-tools