arXiv Open Access 2015

On Fermionic Shadow Wave Functions for strongly-correlated multi-reference systems based on a single Slater determinant

F. Calcavecchia T. D. Kühne

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Abstrak

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.

Topik & Kata Kunci

physics.comp-ph cond-mat.str-el nucl-th physics.chem-ph quant-ph

Penulis (2)

F. Calcavecchia

T. D. Kühne

Format Sitasi

APA MLA BibTeX

Calcavecchia, F., Kühne, T.D. (2015). On Fermionic Shadow Wave Functions for strongly-correlated multi-reference systems based on a single Slater determinant. https://arxiv.org/abs/1501.01428

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Informasi Jurnal

Tahun Terbit: 2015
Bahasa: en
Sumber Database: arXiv
Akses: Open Access ✓