12k citations · 39.7k across the 125 of their papers we have counts for
41 papers · 1 filter
Configuration interaction extension of AGP for incorporating inter-geminal correlations
Airi Kawasaki, Fei Gao, Gustavo E. Scuseria
In this paper, we develop a class of antisymmetrized geminal power configuration interaction (AGP-CI) wave functions that extend the AGP framework by incorporating inter-geminal co…
Selected non-orthogonal configuration interaction with compressed single and double excitations
Chong Sun, Fei Gao, Gustavo E. Scuseria
Addressing both dynamic and static correlation accurately is a primary goal in electronic structure theory. Non-orthogonal configuration interaction (NOCI) is a versatile tool for…
Correlated pair ansatz with a binary tree structure
Rishab Dutta, Fei Gao, Armin Khamoshi +2
We develop an efficient algorithm to implement the recently introduced binary tree state (BTS) ansatz on a classical computer. BTS allows a simple approximation to permanents arisi…
Robust formulation of Wick's theorem for computing matrix elements between Hartree-Fock-Bogoliubov wavefunctions
Guo P. Chen, Gustavo E. Scuseria
Numerical difficulties associated with computing matrix elements of operators between Hartree-Fock-Bogoliubov (HFB) wavefunctions have plagued the development of HFB-based many-bod…
Construction of linearly independent non-orthogonal AGP states
Rishab Dutta, Guo P. Chen, Thomas M. Henderson +1
We show how to construct a linearly independent set of antisymmetrized geminal power (AGP) states, which allows us to rewrite our recently introduced geminal replacement models as…
Geminal replacement models based on AGP
Rishab Dutta, Thomas M. Henderson, Gustavo E. Scuseria
The antisymmetrized geminal power (AGP) wavefunction has a long history and is known by different names in various chemical and physical problems. There has been recent interest in…