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Lagrange multipliers method to optimize single Slater determinant

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1 results in Keywords: Lagrange multipliers method to optimize single Slater determinant

Theoretical and Computational Chemistry

Optimizing Single Slater Determinant for Electronic Hamiltonian with Lagrange Multipliers and Newton-Raphson Methods as an Alternative to Ground State Calculations via Hartree-Fock Self Consistent Field

Sandor Kristyan

Version 1 posted 23 October 2018

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