Projects funded by the NCN
Turning a strongly ortogonal geminal model into a useful tool in computational chemistry.
2014/13/N/ST4/03990
Keywords:
electronic structure strongly orthogonal geminals
Descriptors:
- ST4_15: Colloid chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Politechnika Łódzka, Wydział Chemiczny
woj. łódzkie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: PRELUDIUM 7 - announced on 2014-03-17
Amount awarded: 74 360 PLN
Project start date (Y-m-d): 2015-02-04
Project end date (Y-m-d): 2016-08-03
Project duration:: 18 months (the same as in the proposal)
Project status: Project settled
Information in the final report
- Publication in academic press/journals (3)
- Excitation energies from time-dependent generalized valence bond methodAuthors:Koushik Chatterjee, Katarzyna PernalAcademic press:Theoretical Chemistry Accounts (rok: 2015, tom: 134, strony: 118), Wydawca: Springer-Verlag Berlin HeidelbergStatus:PublishedDOI:10.1007/s00214-015-1718-3 - link to the publication
- A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correctionAuthors:Koushik Chatterjee, Ewa Pastorczak, Konrad Jawulski and Katarzyna PernalAcademic press:Journal of Chemical Physics (rok: 2016, tom: 144, strony: 244111), Wydawca: American Institute of PhysicsStatus:PublishedDOI:10.1063/1.4954694 - link to the publication
- An efficient optimization method for geminal based wave functionsAuthors:Koushik ChatterjeeAcademic press:Theoretical Chemistry Accounts (rok: 2016, tom: 135, strony: 246), Wydawca: Springer Berlin HeidelbergStatus:PublishedDOI:10.1007/s00214-016-2006-6 - link to the publication