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Multiplicity, Instability, and SCF Convergence Problems in Hartree???Fock Solutions
(International Journal of Quantum Chemistry, 2000)
Multiplicity, Instability, and SCF Convergence Problems in Hartree–Fock Solutions
(International Journal of Quantum Chemistry, 2000)
We present a study of the instability and convergence of Hartree–Fock
(HF) ab initio solutions for the diatomic systems H2, LiH,CH, C2, andN2. In our study, we
consider real molecular orbitals (MOs) and analyze the classes ...
Recomposição da Reserva Legal a partir de Sistemas Agrofloretais: Uma reflexão acerca da viabilidade a partir do novo código florestalAgroflorstry Systems: A reflection on viability from the New Forest Code
(Universidade Federal de UberlândiaBrasilDireito, 2019)
Systematic sequences of geometric relativistic basis sets. I: s- and p-block elements up to Xe
(SpringerNew YorkEUA, 2006)