Geminal replacement models based on AGP
arXiv:2008.00552 · doi:10.1021/acs.jctc.0c00807
Abstract
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 using AGP as a starting point for strongly correlated electrons. Here, we show that in a seniority-conserving regime, different AGP based correlator representations based on generators of the algebra, killing operators, and geminal replacement operators are all equivalent. We implement one representation that uses number operators as correlators and has linearly independent curvilinear metrics to distinguish the regions of Hilbert space. This correlation method called J-CI, provides excellent accuracy in energies when applied to the pairing Hamiltonian.
10 pages, 4 figures, 1 table
References in corpus (4)
- Quasiparticle Coupled Cluster Theory for Pairing Interactions
- An exactly size consistent geminal power via Jastrow factor networks in a local one particle basis
- Static and dynamical correlation in diradical molecules by Quantum Monte Carlo using the Jastrow Antisymmetrized Geminal Power ansatz
- Configuration Interaction with Antisymmetrized Geminal Powers