| Molpro HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Version2012 1, 2010 | 869 | 2010 |
| Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients T Shiozaki, W Győrffy, P Celani, HJ Werner The Journal of Chemical Physics 135 (8), 2011 | 515 | 2011 |
| MOLPRO, version 2015.1, a package of ab initio programs HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... University of Cardiff Chemistry Consultants (UC3): Cardiff, Wales, UK, 2015 | 361 | 2015 |
| MOLPRO, version 2015.1, a package of ab initio programs, 2015 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... There is no corresponding record for this reference, 2017 | 138 | 2017 |
| Analytical energy gradients for second-order multireference perturbation theory using density fitting W Győrffy, T Shiozaki, G Knizia, HJ Werner The Journal of Chemical Physics 138 (10), 2013 | 119 | 2013 |
| MOLPRO, version 2019.2, a package of ab initio programs HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Cardiff, UK, 2019 | 111 | 2019 |
| MOLPRO, version 2015.1 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... A Package of ab initio Programs, 2015 | 78 | 2015 |
| Analytical energy gradients for explicitly correlated wave functions. II. Explicitly correlated coupled cluster singles and doubles with perturbative triples corrections: CCSD … W Győrffy, HJ Werner The Journal of Chemical Physics 148 (11), 2018 | 69 | 2018 |
| Enumeration of the conformers of unbranched aliphatic alkanes G Tasi, F Mizukami, I Pálinkó, J Csontos, W Győrffy, P Nair, K Maeda, ... The Journal of Physical Chemistry A 102 (39), 7698-7703, 1998 | 60 | 1998 |
| This article is licensed under a Creative Commons Attribution 3.0 Unported Licence HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... P. Robins, X. Prieur, AP Coll, M. Ma, Z. Jovanovic, IS Farooqi, B. Sedgwick …, 2007 | 48 | 2007 |
| Monte Carlo configuration interaction predictions for the electronic spectra of Ne, CH2, C2, N2, and H2O compared to full configuration interaction calculations W Győrffy, RJ Bartlett, JC Greer The Journal of chemical physics 129 (6), 2008 | 42 | 2008 |
| MOLPRO, version 2010.1, a package of ab initio programs; see http://www. molpro. net HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Google Scholar There is no corresponding record for this reference, 0 | 41 | |
| MOLPRO, version 2019.2, a package of ab initio programs, 2019 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... There is no corresponding record for this reference, 2020 | 39 | 2020 |
| MOLPRO, version 2020.1, a package of ab initio programs HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... WIREs Comput. Mol. Sci 2, 242-253, 2020 | 36 | 2020 |
| Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory W Győrffy, G Knizia, HJ Werner The Journal of Chemical Physics 147 (21), 2017 | 33 | 2017 |
| Quantum algebraic–combinatoric study of the conformational properties of n-alkanes. II G Tasi, F Mizukami, J Csontos, W Győrffy, I Pálinkó Journal of Mathematical Chemistry 27, 191-199, 2000 | 33 | 2000 |
| Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method P Seidler, MB Hansen, W Győrffy, D Toffoli, O Christiansen The Journal of chemical physics 132 (16), 2010 | 30 | 2010 |
| MOLPRO, a package of ab initio programs, version 2015.1 HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schutz, P Celani, ... University of Stuttgart, 2015 | 26 | 2015 |
| DP O′ Neill, P HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Palmieri, K. Pflüger, R. Pitzer, M. Reiher, T. Shiozaki, H. Stoll, AJ Stone …, 2010 | 24 | 2010 |
| MOLPRO, version 2015.1, a package of ab initio programs. 2015; see http://www. molpro. net HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... There is no corresponding record for this reference, 0 | 24 | |
