On fermionic shadow wave functions for strongly correlated multi-reference systems based on a single Slater determinant
Calcavecchia F, Kühne TD (2015)
Publication Type: Journal article
Publication year: 2015
Journal
Book Volume: 110
Article Number: 20011
Journal Issue: 2
DOI: 10.1209/0295-5075/110/20011
Abstract
We demonstrate that extending the shadow wave function to fermionic systems facilitates to accurately calculate strongly correlated multi-reference systems such as the stretched H2 molecule. This development considerably extends the scope of electronic-structure calculations and enables to efficiently recover the static correlation energy using just a single Slater determinant.
Involved external institutions
Germany (DE)How to cite
APA:
Calcavecchia, F., & Kühne, T.D. (2015). On fermionic shadow wave functions for strongly correlated multi-reference systems based on a single Slater determinant. EPL - Europhysics Letters, 110(2). https://dx.doi.org/10.1209/0295-5075/110/20011
MLA:
Calcavecchia, Francesco, and Thomas D. Kühne. "On fermionic shadow wave functions for strongly correlated multi-reference systems based on a single Slater determinant." EPL - Europhysics Letters 110.2 (2015).
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