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pro vyhledávání: '"Haupt, J. Philip"'
Autor:
Filip, Maria-Andreea, Ríos, Pablo López, Haupt, J. Philip, Christlmaier, Evelin Martine Corvid, Kats, Daniel, Alavi, Ali
We explore the applicability of the transcorrelated method to the elements in the second row of the periodic table. We use transcorrelated Hamiltonians in conjunction with full configuration interaction quantum Monte Carlo and coupled cluster techniq
Externí odkaz:
http://arxiv.org/abs/2411.03175
Autor:
Haupt, J. Philip, Hosseini, Seyed Mohammadreza, Rios, Pablo Lopez, Dobrautz, Werner, Cohen, Aron, Alavi, Ali
We investigate the optimization of flexible tailored real-space Jastrow factors for use in the transcorrelated (TC) method in combination with highly accurate quantum chemistry methods such as initiator full configuration interaction quantum Monte Ca
Externí odkaz:
http://arxiv.org/abs/2302.13683