# YAML 1.2
---
cff-version: 1.2.0
message: >-
  If you use this software, please cite it as below.
authors:
  - given-names: Björn
    family-names: Baumeier
    orcid: 'https://orcid.org/0000-0002-6077-0467'
    affiliation: >
      Eindhoven University of Technology, 
      Institute for Complex Molecular Systems
  - given-names: Nicolas
    family-names: Renaud
    affiliation: Netherlands eScience Center
    orcid: 'https://orcid.org/0000-0001-9589-2694'
  - given-names: Wouter
    family-names: Scharpach
    orcid: 'https://orcid.org/0000-0002-4035-3703'
    affiliation: Eindhoven University of Technology
  - given-names: Vivek
    family-names: Sundaram
    orcid: https://orcid.org/0000-0002-9986-8461
    affiliation: Eindhoven University of Technology
  - given-names: Onur
    family-names: Çaylak
    orcid: https://orcid.org/0000-0003-2410-7411
    affiliation: Eindhoven University of Technology
  - given-names: Gianluca
    family-names: Tirimbò
    orcid: https://orcid.org/0000-0002-6641-0761
    affiliation: Eindhoven University of Technology
  - given-names: Christoph 
    family-names: Junghans
    orcid: https://orcid.org/0000-0003-0925-1458
    affiliation: Los Alamos National Laboratory
  - given-names: Joshua 
    family-names: Brown
  - given-names: Felipe Zapata
    family-names: Ruiz
    orcid: https://orcid.org/0000-0001-8286-677X
    affiliation: Netherlands eScience Center
  - given-names: Jens 
    family-names: Wehner
    orcid: https://orcid.org/0000-0003-1203-5000
    affiliation: Netherlands eScience Center
  - given-names: Ruben
    family-names: Gerritsen
    affiliation: Eindhoven University of Technology
    orcid: 'https://orcid.org/0000-0003-0738-8952'
  - given-names: Marvin
    family-names: Bernhardt
    affiliation: Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
    orcid: 'https://orcid.org/0000-0001-6520-5208'
  - given-names: David
    family-names: Rosenberger
    orcid: 'https://orcid.org/0000-0001-6620-6499'
title: "VOTCA"
version: v2021.2
date-released: 2021-09-19
url: "https://github.com/votca/votca"
abstract: >-
  VOTCA-XTP is a library which allows you to calculate the electronic properties
  of organic materials.
keywords: 
  - "quantum chemistry"
  - "gw bse"
  - "Bethe Salpeter equation"
  - "many-body interaction"
  - "many-body problem"
  - "course graining"
preferred-citation:
  type: article
  authors:
    - given-names: Gianluca
      family-names: Tirimbò
    - given-names: Vivek 
      family-names: Sundaram
    - given-names: Onur
      family-names: Çaylak
    - given-names: Wouter
      family-names: Scharpach
    - given-names: Javier
      family-names: Sijen
    - given-names: Christoph
      family-names: Junghans
    - given-names: Joshua
      family-names: Brown
    - given-names: Felipe Zapata
      family-names: Ruiz
    - given-names: Nicolas
      family-names: Renaud
    - given-names: Jens
      family-names: Wehner   
    - given-names: Björn
      family-names: Baumeier
  doi: "10.1063/1.5144277"
  journal: "The Journal of Chemical Physics"
  title: >
    Excited-state electronic structure of molecules using many-body Green’s 
    functions: Quasiparticles and electron–hole excitations with VOTCA-XTP
  issue: 11
  volume: 152
  year: 2020
...