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physics.chem-ph2019
Linear scaling conventional Fock matrix calculation with stored non-zero two-electron integrals
Alexander V. Mitin
It was shown that the conventional Fock matrix calculation, which using stored non-zero two-electron integrals, density prescreening, and data compression methods possesses the lin…
physics.chem-ph2018
On rotational-vibrational spectrum of diatomic beryllium molecule
A. A. Gusev, O. Chuluunbaatar, S. I. Vinitsky +7
The eigenvalue problem for second-order ordinary differential equation (SOODE) in a finite interval with the boundary conditions of the first, second and third kind is formulated.…