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Gour, Jeffrey R., Piecuch, Piotr (2006) Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods. The Journal of Chemical Physics, 125 (23). 234107pp. doi:10.1063/1.2409289

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Reference TypeJournal (article/letter/editorial)
TitleEfficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods
JournalThe Journal of Chemical Physics
AuthorsGour, Jeffrey R.Author
Piecuch, PiotrAuthor
Year2006 (December 21)Volume125
Issue23
PublisherAIP Publishing
DOIdoi:10.1063/1.2409289Search in ResearchGate
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Mindat Ref. ID2308291Long-form Identifiermindat:1:5:2308291:9
GUID0
Full ReferenceGour, Jeffrey R., Piecuch, Piotr (2006) Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods. The Journal of Chemical Physics, 125 (23). 234107pp. doi:10.1063/1.2409289
Plain TextGour, Jeffrey R., Piecuch, Piotr (2006) Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods. The Journal of Chemical Physics, 125 (23). 234107pp. doi:10.1063/1.2409289
In(2006, December) The Journal of Chemical Physics Vol. 125 (23) AIP Publishing

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Shen, Jun, Piecuch, Piotr (2013) 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. The Journal of Chemical Physics, 138 (19). 194102pp. doi:10.1063/1.4803883
Gour, Jeffrey R., Piecuch, Piotr, WĹ‚och, Marta (2005) Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt. The Journal of Chemical Physics, 123 (13). 134113pp. doi:10.1063/1.2042452
Ohtsuka, Yuhki, Piecuch, Piotr, Gour, Jeffrey R., Ehara, Masahiro, Nakatsuji, Hiroshi (2007) Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals. The Journal of Chemical Physics, 126 (16). 164111pp. doi:10.1063/1.2723121
Ehara, Masahiro, Gour, Jeffery R., Piecuch, Piotr (2009) Low-lying valence excited states of CNC, C2N, N3, and NCO studied using the electron-attached and ionized symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methodologies. Molecular Physics, 107. 871-880 doi:10.1080/00268970802672668
Hansen, Jared A, Piecuch, Piotr, Lutz, Jesse J, Gour, Jeffrey R (2011) Geometries and adiabatic excitation energies of the low-lying valence states of CNC, C2N, N3and NCO studied with the electron-attached and ionized equation-of-motion coupled-cluster methodologies. Physica Scripta, 84 (2). 28110pp. doi:10.1088/0031-8949/84/02/028110
Kowalski, Karol, Piecuch, Piotr (2001) The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt. The Journal of Chemical Physics, 115 (2). 643-651 doi:10.1063/1.1378323
Kowalski, Karol, Piecuch, Piotr (2000) The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach. The Journal of Chemical Physics, 113 (19). 8490-8502 doi:10.1063/1.1318757
Shen, Jun, Piecuch, Piotr (2014) Doubly electron-attached and doubly ionised equation-of-motion coupled-cluster methods with full and active-space treatments of 4-particle–2-hole and 4-hole–2-particle excitations: the role of orbital choices. Molecular Physics, 112. 868-885 doi:10.1080/00268976.2014.886397
Ehara, Masahiro, Piecuch, Piotr, Lutz, Jesse J., Gour, Jeffrey R. (2012) Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions. Chemical Physics, 399. 94-110 doi:10.1016/j.chemphys.2011.09.022
Li, Wei, Piecuch, Piotr, Gour, Jeffrey R., Li, Shuhua (2009) Local correlation calculations using standard and renormalized coupled-cluster approaches. The Journal of Chemical Physics, 131 (11). 114109pp. doi:10.1063/1.3218842
Gour, Jeffrey R., Piecuch, Piotr, WĹ‚och, Marta (2010) Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene. Molecular Physics, 108. 2633-2646 doi:10.1080/00268976.2010.518573
 
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