Pinned Repositories
geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
grid_qmc
Grid-based stochastic electronic structure methods
GW-approximation
Reference implementation of GW
molgw
Accurate many-body perturbation theory calculations of the electronic structure of molecules
numgrid
Numerical integration grid for molecules.
prog_assignments
Misc programming assignments in math, physics, and computer science
QC-BIM
QMC_grid_theory
Quantum Monte-Carlo methods for the quantum states with arbitrary nodal structure
QSymm
Simple point group symmetry tools for quantum chemical applications
smhasher
Automatically exported from code.google.com/p/smhasher
aakunitsa's Repositories
aakunitsa/GW-approximation
Reference implementation of GW
aakunitsa/QMC_grid_theory
Quantum Monte-Carlo methods for the quantum states with arbitrary nodal structure
aakunitsa/grid_qmc
Grid-based stochastic electronic structure methods
aakunitsa/geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
aakunitsa/molgw
Accurate many-body perturbation theory calculations of the electronic structure of molecules
aakunitsa/numgrid
Numerical integration grid for molecules.
aakunitsa/prog_assignments
Misc programming assignments in math, physics, and computer science
aakunitsa/QC-BIM
aakunitsa/QSymm
Simple point group symmetry tools for quantum chemical applications
aakunitsa/smhasher
Automatically exported from code.google.com/p/smhasher
aakunitsa/stieltjes_code
the Stieltjes procedure correcting for the normalization of the pseudocontinuum
aakunitsa/tutorial-1-diatomic-molecule
aakunitsa/tutorial-orquestra-sklearn
Resource accompanying the beginner Orquestra tutorials
aakunitsa/wignerSymbols
A C++ library to compute the Wigner 3j- and 6j- symbols (with FORTRAN backend).