Projects funded by the NCN
Towards a reliable and efficient description of electron correlation effects in large molecules: embedding pCCD-type methods
2019/33/B/ST4/02114
Keywords:
quantum chemistry embedding electron correlation coupled cluster theory with optimized orbitals WFT-in-DFT pCCD AP1roG geminals orbital entanglement
Descriptors:
- ST4_4: Theoretical and computational chemistry
- ST2_7: Atomic and molecular physics
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Mikołaja Kopernika w Toruniu, Wydział Fizyki, Astronomii i Informatyki Stosowanej
woj. kujawsko-pomorskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 3
Call: OPUS 17 - announced on 2019-03-15
Amount awarded: 516 860 PLN
Project start date (Y-m-d): 2020-04-01
Project end date (Y-m-d): 2023-03-31
Project duration:: 36 months (the same as in the proposal)
Project status: Project completed
Project description
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