Detalhe da pesquisa
1.
On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments.
Phys Chem Chem Phys;
24(19): 11931-11944, 2022 May 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35521680
2.
Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit.
J Comput Chem;
42(5): 326-333, 2021 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33616968
3.
Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction.
J Chem Theory Comput;
16(5): 2941-2951, 2020 May 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-32279493
4.
GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems.
J Chem Phys;
152(6): 064111, 2020 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32061226
5.
Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model.
J Am Chem Soc;
141(44): 17729-17743, 2019 Nov 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31509712