http://orcid.org/0000-0002-7274-0601
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ABSTRACT
The spin-component scaling is employed in the energy evaluation to improve the distinguishable cluster approach. SCS-DCSD reaction energies reproduce reference values with a root-mean-squared deviation well below 1 kcal/mol, the interaction energies are three to five times more accurate than DCSD, and molecular systems with a large amount of static electron correlation are still described reasonably well. SCS-DCSD represents a pragmatic approach to achieve chemical accuracy with a simple method without triples, which can also be applied to multi-configurational molecular systems.
Disclosure statement
No potential conflict of interest was reported by the author.
Additional information
Funding
Financial support from ERC [grant number ASES 320723] is acknowledged.