Double electron-attachment equation-of-motion coupled-cluster methods with up to 4-particle–2-hole excitations: improved implementation and application to singlet–triplet gaps in ortho-, meta-, and para-benzyne isomers
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Title
Double electron-attachment equation-of-motion coupled-cluster methods with up to 4-particle–2-hole excitations: improved implementation and application to singlet–triplet gaps in ortho-, meta-, and para-benzyne isomers
Authors
Keywords
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Journal
MOLECULAR PHYSICS
Volume -, Issue -, Pages e1966534
Publisher
Informa UK Limited
Online
2021-08-23
DOI
10.1080/00268976.2021.1966534
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