Journal
MOLECULAR PHYSICS
Volume 108, Issue 21-23, Pages 3113-3124Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2010.516278
Keywords
electron correlation; anharmonic vibrations; coupled-cluster theory; symbolic algebra; polymers
Funding
- US Department of Energy [DE-FG02-04ER15621]
- US National Science Foundation [CHE-0844448]
- American Chemical Society [48440-AC6]
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This article reviews the developments made primarily by the author in mathematical theories and algorithms for systematic many-body descriptions of correlated electrons and anharmonic lattice vibrations in polymers and molecular crystals. It also documents underlying size-extensive electron-correlation methods and their computerized implementations as well as a few pivotal applications.
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