1. A black-box, general purpose quadratic self-consistent field code with and without Cholesky decomposition of the two-electron integrals. (17th November 2021) Authors: Nottoli, Tommaso; Gauss, Jürgen; Lipparini, Filippo Journal: Molecular physics Issue: Volume 119:Number 21/22(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A one-electron variant of direct perturbation theory for the treatment of scalar-relativistic effects. (18th June 2019) Authors: Stopkowicz, Stella; Gauss, Jürgen Journal: Molecular physics Issue: Volume 117:Number 9/12(2019) Page Start: 1242 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Analytic energy derivatives in relativistic quantum chemistry. Issue 17 (24th February 2014) Authors: Cheng, Lan; Stopkowicz, Stella; Gauss, Jürgen; Brändas, Erkki; Szabados, Ágnes; Surján, Péter Journal: International journal of quantum chemistry Issue: Volume 114:Issue 17(2014:Sep. 05) Page Start: 1108 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Complex ground-state and excitation energies in coupled-cluster theory. (17th November 2021) Authors: Thomas, Simon; Hampe, Florian; Stopkowicz, Stella; Gauss, Jürgen Journal: Molecular physics Issue: Volume 119:Number 21/22(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Force probe simulations using an adaptive resolution scheme. (26th April 2021) Authors: Oestereich, Marco; Gauss, Jürgen; Diezemann, Gregor Journal: Journal of physics Issue: Volume 33:Number 19(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Incremental treatments of the full configuration interaction problem. (27th February 2021) Authors: Eriksen, Janus J.; Gauss, Jürgen Journal: Wiley interdisciplinary reviews Issue: Volume 11:Number 5(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Reinhart Ahlrichs (1940–2016). (16th December 2016) Authors: Gauss, Jürgen; Ochsenfeld, Christian Journal: Angewandte Chemie Issue: Volume 129:Number 1(2017) Page Start: 37 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Reinhart Ahlrichs (1940–2016). Issue 1 (16th December 2016) Authors: Gauss, Jürgen; Ochsenfeld, Christian Journal: Angewandte Chemie international edition Issue: Volume 56:Issue 1(2017) Page Start: 37 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. State‐specific multireference coupled‐cluster theory. (16th October 2012) Authors: Köhn, Andreas; Hanauer, Matthias; Mück, Leonie Anna; Jagau, Thomas‐Christian; Gauss, Jürgen Journal: Wiley interdisciplinary reviews Issue: Volume 3:Number 2(2013:Mar./Apr.) Page Start: 176 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Structural Origin of Metal Specificity in Isatin Hydrolase from Labrenzia aggregata Investigated by Computer Simulations. Issue 20 (9th January 2018) Authors: Uribe, Lalita; Diezemann, Gregor; Gauss, Jürgen; Morth, Jens Preben; Cascella, Michele Journal: Chemistry Issue: Volume 24:Issue 20(2018) Page Start: 5074 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗