GitHub - mortele/VMC: Variational Monte Carlo solver for atoms and diatomic molecules written from scratch in C++. It is possible to use the output HF basis from github.com/mortele/Hartree-Fock as the Slater determinant and let the VMC scheme optimize only the Jastrow factor.

Repository navigation

VMC

Public

Notifications
Fork (0)
Star (1)

About

Variational Monte Carlo solver for atoms and diatomic molecules written from scratch in C++. It is possible to use the output HF basis from github.com/mortele/Hartree-Fock as the Slater determinant and let the VMC scheme optimize only the Jastrow factor.

c-plus-plus quantum-monte-carlo variational-monte-carlo

Activity

1 star

1 watching

0 forks

Report repository