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

Kristyán, Sándor (2019) 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. In: Proceedings of the International Conference on Numerical Analysis and Applied Mathematics (ICNAAM-2018). AIP Conference Proceedings, 2116 (1). AIP Publishing, College Park (MD), pp. 1-6. ISBN 978-0-7354-1854-7

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