GitHub - votca/xtp: GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems · GitHub

This repository was archived by the owner on Sep 28, 2021. It is now read-only.

Repository navigation

xtp

Public archive

About

GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems

computational-chemistry computational-physics excited-states gw-bse multiscale-simulation quantum-chemistry quantum-classical

Custom properties

29 stars

8 watching

Report repository

Name		Name	Last commit message	Last commit date
README.md		README.md

Repository files navigation

The xtp code is now part of votca.

About

GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems

computational-chemistry computational-physics excited-states gw-bse multiscale-simulation quantum-chemistry quantum-classical

Custom properties

29 stars

8 watching

Report repository

Releases

Packages

Used by

Contributors