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Published in 2024 at "Molecular Physics"
DOI: 10.1080/00268976.2024.2449186
Abstract: We investigated some variational methods to compute a wavefunction based on antisymmetric product of geminals (APG). The Waring decomposition on the APG wavefunction leads a finite sum of antisymmetrized geminal power (AGP) wavefunctions, each for…
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Keywords:
wavefunction;
apg wavefunction;
product geminals;
decomposition ... See more keywords