Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods

Origin-independent two-photon circular dichroism calculations in coupled cluster theory

Physical Chemistry Chemical Physics ◽

10.1039/c6cp01653g ◽

2016 ◽

Vol 18 (19) ◽

pp. 13683-13692 ◽

Cited By ~ 1

Author(s):

Daniel H. Friese ◽

Christof Hättig ◽

Antonio Rizzo

Keyword(s):

Circular Dichroism ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Two Photon ◽

Coupled Cluster Methods ◽

Cluster Methods ◽

Circular Dichroïsm

We present the first origin-independent approach for the treatment of two-photon circular dichroism (TPCD) using coupled cluster methods.

Analysis of coupled cluster methods. II. What is the best way to account for triple excitations in coupled cluster theory?

Theoretica Chimica Acta ◽

10.1007/bf01129119 ◽

1993 ◽

Vol 85 (4) ◽

pp. 305-323 ◽

Cited By ~ 40

Author(s):

Zhi He ◽

Dieter Cremer

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Coupled Cluster Methods ◽

Active-space coupled-cluster methods

Molecular Physics ◽

10.1080/00268976.2010.522608 ◽

2010 ◽

Vol 108 (21-23) ◽

pp. 2987-3015 ◽

Cited By ~ 60

Author(s):

Piotr Piecuch

Keyword(s):

Coupled Cluster ◽

Active Space ◽

Coupled Cluster Methods ◽

General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: Implementation and application to ScH

10.1063/1.4827638 ◽

2013 ◽

Vol 139 (19) ◽

pp. 194106 ◽

Cited By ~ 8

Author(s):

Mickaël Hubert ◽

Jeppe Olsen ◽

Jessica Loras ◽

Timo Fleig

Keyword(s):

Excited States ◽

Coupled Cluster ◽

Electronically Excited States ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Active Space ◽

Electronically Excited

Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle–2-hole and 4-hole–2-particle excitations and their active-space extensions

10.1063/1.4803883 ◽

2013 ◽

Vol 138 (19) ◽

pp. 194102 ◽

Cited By ~ 51

Author(s):

Jun Shen ◽

Piotr Piecuch

Keyword(s):

Equation Of Motion ◽

Coupled Cluster ◽

Active Space ◽

Coupled Cluster Methods ◽

Discontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation

10.1063/1.4926392 ◽

2015 ◽

Vol 143 (2) ◽

pp. 024109 ◽

Cited By ~ 5

Author(s):

Irina A. Zaporozhets ◽

Vladimir V. Ivanov ◽

Dmitry I. Lyakh ◽

Ludwik Adamowicz

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Complete Active Space ◽

Active Space ◽

Bond Stretching ◽

Space State

Novel strategy to implement active-space coupled-cluster methods

10.1063/1.5004971 ◽

2018 ◽

Vol 148 (12) ◽

pp. 124108

Author(s):

Zoltán Rolik ◽

Mihály Kállay

Keyword(s):

Coupled Cluster ◽

Active Space ◽

Coupled Cluster Methods ◽

Novel Strategy ◽

Hybrid coupled cluster methods: Combining active space coupled cluster methods with coupled cluster singles, doubles, and perturbative triples

10.1063/1.4716185 ◽

2012 ◽

Vol 136 (19) ◽

pp. 194105 ◽

Cited By ~ 6

Author(s):

Zhuangfei Kou ◽

Jun Shen ◽

Enhua Xu ◽

Shuhua Li

Keyword(s):

Coupled Cluster ◽

Active Space ◽

Coupled Cluster Methods ◽

The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt

10.1063/1.1378323 ◽

2001 ◽

Vol 115 (2) ◽

pp. 643-651 ◽

Cited By ~ 205

Author(s):

Karol Kowalski ◽

Piotr Piecuch

Keyword(s):

Electronic States ◽

Equation Of Motion ◽

Coupled Cluster ◽

Excited Electronic States ◽

Active Space ◽

Coupled Cluster Methods ◽

Cluster Methods ◽

Space Equation

Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference

10.1063/1.2190221 ◽

2006 ◽

Vol 124 (18) ◽

pp. 184302 ◽

Cited By ~ 21

Author(s):

Vladimir V. Ivanov ◽

Ludwik Adamowicz ◽

Dmitry I. Lyakh

Keyword(s):

Excited States ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Complete Active Space ◽

Active Space