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Variational solution of the congruently transformed Hamiltonian for many-electron systems using a full-configuration-interaction calculation
2012
Physical Review A. Atomic, Molecular, and Optical Physics
The congruent transformation of the electronic Hamiltonian is developed to address the electron correlation problem in many-electron systems. The central strategy presented in this method is to perform transformation on the electronic Hamiltonian for approximate removal of the Coulomb singularity. The principle difference between the present method and the transcorrelated method of Handy and Boys is that the congruent transformation preserves the Hermitian property of the Hamiltonian. The
doi:10.1103/physreva.86.062504
fatcat:6s543bpxpvhgdmtjxwpjupa3jm