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Don’t be a square: Approximate treatment of electron correlation via a single, rectangular, determinant
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DOI：10.1016/j.comptc.2026.115840.png)
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Abstract
En 中文
• A rectangular determinant approximates the N-electron wavefunction. • The wavefunction ansatz is exact for two-electron systems. • The method can be interpreted as a new type of “projected Hartree–Fock” or nonorthogonal CI.
Keywords:
Rectangular determinant
Projected Hartree–Fock
Wavefunction ansatz
Nonorthogonal CI
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