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Benchmarking electronic structure methods for the cobalt porphyrin
Vol 2, 2023 -163265
Publications in other proceedings
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SBQT 2021
Remodelagem da Superfície de Energia Potencial da reação F + H2O→HF + OH
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SBQT 2021
How to use geometry to optimise the Hartree-Fock wave function
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SBQT 2021
Estimando a energia full CI a partir da distância entre a função de onda coupled cluster e os determinantes de Slater
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SBQT 2021
A geometric interpretation for coupled-cluster theory being more accurate than corresponding configuration interaction
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