The Journal of chemical physics
2D-block geminals: Guidelines to choose effective excitations.
Patrick Cassam-Chenaï, Louis Jourdan
Published: 202510.1063/5.0296682
Abstract
A new family of geminal Ansätze called antisymmetrized product of 2D-block geminals (AP2D-BG) has been introduced recently to solve the electronic Schrödinger equation of molecules. They build on an antisymmetrized product of strongly orthogonal gemi…
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