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Project

Uitbreiding van elektronpaargebaseerde elektronische structuurmethoden in de richting van een hogere nauwkeurigheid en toepasbaarheid.

Output en outcomes

Code

3F014916

Looptijd

01-10-2016 → 31-12-2020

Financiering

Fonds voor Wetenschappelijk Onderzoek - Vlaanderen (FWO)

Promotor

Patrick Bultinck

Mandaathouder

Laurent Lemmens

Onderzoeksdisciplines

Natural sciences
- Applied mathematics in specific fields
- Astronomy and space sciences
- Classical physics
- Materials physics
- Mathematical physics
- Quantum physics
- Theoretical and computational chemistry
- Other chemical sciences

Trefwoorden

kwantumchemie elektronische structuur

Projectomschrijving

The computationally inexpensive class of geminal methods is extended so that they become more universally applicable. To these, firmly footed on the concept of the electron pair, methods relativistic effects and the ability to treat open shells and excited states will be added.

English

Dutch

English

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