2 papers
math-ph2026
A Remarkable Application of Zassenhaus Formula to Strongly Correlated Electron Systems
Louis Jourdan, Patrick Cassam-Chenaï
We show that the Zassenhaus decomposition for the exponential of the sum of two non-commuting operators, simplifies drastically when these operators satisfy a simple condition, cal…
physics.chem-ph2024
Singlet Geminal Wavefunctions
Paul A. Johnson, Jean-David Moisset, Marianne Gratton +8
Wavefunction forms based on products of electron pairs are usually constructed as closed-shell singlets, which is insufficient when the molecular state has a nonzero spin or when t…