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International journal of quantum chemistry [mikrofilem]
Published 1967Subjects: “…Quantum chemistry…”
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Quantum chemistry : elementary principles and methods/
Published 1969Subjects: “…Quantum chemistry…”
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Problems and solutions in quantum chemistry and physics /
Published 1974Subjects: “…Quantum chemistry…”
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On basis set optimisation in quantum chemistry
Published 2023-01-01“…In this article, we propose general criteria to construct optimal atomic centered basis sets in quantum chemistry. We focus in particular on two criteria, one based on the ground-state one-body density matrix of the system and the other based on the ground-state energy. …”
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