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2020
Mark Dalton Project : A Python platform for molecular- and electronic-structure simulations of complex systems
Olsen, Jógvan Magnus Haugaard ; Reine, Simen ; Vahtras, Olav ; Kjellgren, Erik ; Reinholdt, Peter ; Hjorth Dundas, Karen Oda ; Li, Xin ; Cukras, Janusz ; Ringholm, Magnus and Hedegård, Erik D. ^LU , et al. (2020) In The Journal of chemical physics 152(21).
- Contribution to journal › Article
Mark The DIRAC code for relativistic molecular calculations
Saue, Trond ; Bast, Radovan ; Gomes, André Severo Pereira ; Jensen, Hans Jørgen Aa ; Visscher, Lucas ; Aucar, Ignacio Agustín ; Di Remigio, Roberto ; Dyall, Kenneth G. ; Eliav, Ephraim and Fasshauer, Elke , et al. (2020) In The Journal of chemical physics 152(20). p.204104-204104
- Contribution to journal › Article
2017
Mark Relativistic Polarizable Embedding
Hedegård, Erik Donovan ^LU ; Bast, Radovan ; Kongsted, Jacob ^LU ; Olsen, Jógvan Magnus Haugaard and Jensen, Hans Jørgen Aagaard (2017) In Journal of Chemical Theory and Computation 13(6). p.2870-2880
- Contribution to journal › Article