Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods - CCSDR(3) versus CC3

Stephan P. A. Sauer; Marko Schreiber; Mario R. Silva-Junior; Walter Thiel

doi:10.1021/ct800256j

Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods - CCSDR(3) versus CC3

Stephan P. A. Sauer, Marko Schreiber, Mario R. Silva-Junior, Walter Thiel

Kemisk Institut

97 Citationer (Scopus)

Abstract

Udgivelsesdato: 2 February

Originalsprog	Engelsk
Tidsskrift	Journal of Chemical Theory and Computation
Vol/bind	5
Udgave nummer	3
Sider (fra-til)	555-564
ISSN	1549-9618
DOI	https://doi.org/10.1021/ct800256j
Status	Udgivet - 2009

Adgang til dokumentet

10.1021/ct800256j

Citationsformater

Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods - CCSDR(3) versus CC3. / Sauer, Stephan P. A.; Schreiber, Marko; Silva-Junior, Mario R. et al.

I: Journal of Chemical Theory and Computation, Bind 5, Nr. 3, 2009, s. 555-564.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

@article{9b47cc80dd7c11ddb5fc000ea68e967b,

title = "Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods - CCSDR(3) versus CC3",

abstract = "Udgivelsesdato: 2 February",

author = "Sauer, {Stephan P. A.} and Marko Schreiber and Silva-Junior, {Mario R.} and Walter Thiel",

year = "2009",

doi = "10.1021/ct800256j",

language = "English",

volume = "5",

pages = "555--564",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

number = "3",

}

TY - JOUR

T1 - Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods - CCSDR(3) versus CC3

AU - Sauer, Stephan P. A.

AU - Schreiber, Marko

AU - Silva-Junior, Mario R.

AU - Thiel, Walter

PY - 2009

Y1 - 2009

N2 - Udgivelsesdato: 2 February

AB - Udgivelsesdato: 2 February

U2 - 10.1021/ct800256j

DO - 10.1021/ct800256j

M3 - Journal article

C2 - 26610222

SN - 1549-9618

VL - 5

SP - 555

EP - 564

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 3

ER -