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- W2076872657 abstract "Our previously reported ab initio subcell approach for determining the electronic structure of molecular solids and clusters is extended to include correlation at the MP3 and MP4 SDTQ levels. The approach is demonstrated with calculations on solid H2 at four pressures (∼3×106, 1×106, 0.5×106, and 0.1×106 atm) for which contributions of correlation at the MP3 and MP4 levels are found to be small (∼1%–3% of the total calculated interaction energy per molecule). It is also demonstrated that a pair potential approach, although providing a poor model for the HF energy, provides reasonable estimates of the MP2, MP3 and MP4 correlation corrections to the interaction energy in solid H2, at all pressures studied." @default.
- W2076872657 created "2016-06-24" @default.
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- W2076872657 date "1990-08-01" @default.
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- W2076872657 title "Novel <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> self-consistent-field approach to molecular solids under pressure. IV. MP3 and MP4 correlation corrections" @default.
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- W2076872657 doi "https://doi.org/10.1063/1.459111" @default.
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