Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene
2017 ◽
Vol 146
(3)
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pp. 034101
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2017 ◽
Vol 146
(18)
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pp. 189901
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2019 ◽
Vol 150
(8)
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pp. 084103
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2017 ◽
Vol 19
(44)
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pp. 30089-30096
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2018 ◽
Vol 149
(2)
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pp. 024106
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Keyword(s):