Diagonal perturbative triple corrections to the general‐model‐space state‐universal coupled‐cluster method: Are they warranted and useful? (Unknown)
- New search for: Li, Xiangzhu
- New search for: Paldus, Josef
- New search for: Li, Xiangzhu
- New search for: Paldus, Josef
In:
Molecular Physics
;
104
, 13-14
;
2047-2062
;
2006
- Article (Journal) / Electronic Resource
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Title:Diagonal perturbative triple corrections to the general‐model‐space state‐universal coupled‐cluster method: Are they warranted and useful?
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Contributors:Li, Xiangzhu ( author ) / Paldus, Josef ( author )
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Published in:Molecular Physics ; 104, 13-14 ; 2047-2062
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Publisher:
- New search for: Taylor & Francis Group
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Publication date:2006-07-01
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Size:16 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Keywords:
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Source:
Table of contents – Volume 104, Issue 13-14
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1975
-
65th Birthday of Andrzej Sadlej—A Laudatio| 2006
- 1977
-
Molecular communication channels of model excited electron configurations†Nalewajski, R. F. et al. | 2006
- 1989
-
Locally renormalized coupled-cluster equations for singly and doubly excited clusters†Kowalski, Karol et al. | 2006
- 1999
-
Potential energy and transition dipole moment functions of †| 2006
- 2007
-
Ring puckering of cyclooctatetraene and cyclohexane is induced by pseudo-Jahn–Teller couplingBlancafort, LluÍs / Bearpark, Michael J. / Robb, Michael A. et al. | 2006
- 2011
-
Basis set and electron correlation effects on static electric properties of 1,3-thiazoles and 1,3-benzothiazoles as potential fragments in push–pull NLO chromophoresBenková, Z. / Černušák, I. / Zahradník, P. et al. | 2006
- 2027
-
Polarizabilities and second hyperpolarizabilities of ZnmCdn clustersPapadopoulos, M. G. / Reis, H. / Avramopoulos, A. / Erkoç, Ş / Amirouche§, L. et al. | 2006
- 2037
-
The high-rank Hartree–Fock method as an averaging procedure†Surján, Péter R. / Tóth, Gábor et al. | 2006
- 2047
-
Diagonal perturbative triple corrections to the general‐model‐space state‐universal coupled‐cluster method: Are they warranted and useful?Li, Xiangzhu / Paldus, Josef et al. | 2006
- 2063
-
Electroabsorption spectra of linear porphyrin arrays – a model study†Stradomska, A. / Petelenz, P. et al. | 2006
- 2073
-
On perturbative corrections to excitation energies from configuration interaction singles†Meissner, Leszek et al. | 2006
- 2085
-
Kinetically balanced Dirac equation: properties and applicationsStanke, Monika / Karwowski, Jacek / Tatewaki, Hiroshi et al. | 2006
- 2093
-
Model first principles molecular dynamics study on the fate of vibrationally excited states in liquid waterBroclawik, E. / Shaikh, A. R. / Pei, Q. / Chiba, K. / Sasaki, Y. / Tsuboi, H. / Koyama, M. / Kubo, M. / Akutsu, K. / Hirota, M. et al. | 2006
- 2101
-
A new potential energy surface for the water dimer obtained from separate fits of ab initio electrostatic, induction, dispersion and exchange energy contributions†Torheyden, Martin / Jansen, Georg et al. | 2006
- 2139
-
Nuclear magnetic resonance shielding constants in XH4 group XIV hydrides§Jaszuński, Michał / Ruud, Kenneth et al. | 2006
- 2149
-
Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equationsŁoch, Marta W. / Lodriguito, Maricris D. / Piecuch†, Piotr / Gour, Jeffrey R. et al. | 2006
- 2173
-
Optically induced circular and axial birefringences in achiral fluids: an ab initio study of the optical Faraday effectBaranowska, Angelika / Rizzo, Antonio / Coriani, Sonia et al. | 2006
- 2193
-
Theoretical study of the A state of helium dimer†Komasa, Jacek et al. | 2006
- 2203
-
Theoretical insights into catalysis by phosphonoacetaldehyde hydrolase§Szefczyk, Borys / Kedzierski, Paweł / Sokalski, W.Andrzej et al. | 2006
- 2213
-
Ab initio asymptotic-expansion coefficients for pair energies in MP2 perturbation theory for atomsJankowski, Karol / SŁupski, Romuald / Flores, Jesus R. et al. | 2006
- 2225
-
Quasirelativistic theory I. Theory in terms of a quasi-relativistic operator¶Kutzelnigg, Werner / Liu*, Wenjian et al. | 2006
- 2241
-
Portable parallel implementation of symmetry-adapted perturbation theory code∥Bukowski, Robert / Cencek, Wojciech / Patkowski, Konrad / Jankowski, Piotr / Jeziorska, MałGorzata / Kołaski¶, Maciej / Szalewicz, Krzysztof et al. | 2006
- 2263
-
On the weak intermolecular interactions and their influence on the optical properties of unsaturated hydrocarbons. Part 1: Two-body interactions†Skwara, B. / Bartkowiak, W. / Góra*, R. W. / Niewodniczański, W. / Roszak, S. et al. | 2006
- 2273
-
Configuration interaction study of the positronic hydrogen cyanide molecule†Chojnacki, Henryk / Strasburger, Krzysztof et al. | 2006
- 2277
-
Optimized virtual orbitals for relativistic calculations: an alternative approach to the basis set construction for correlation calculations†Pito[nbreve]ák, Michal / Neogrády, Pavel / Kellö, VladimÍr / Urban, Miroslav et al. | 2006
- 2293
-
Fitting the derivative surfaces for full-dimensional interaction potentials†Jankowski, Piotr / Ziółkowski, Marcin et al. | 2006
- 2303
-
Time-independent coupled cluster theory of the polarization propagator. Implementation and application of the singles and doubles model to dynamic polarizabilities and van der Waals constants†Korona, Tatiana / Przybytek, Michał / Jeziorski, Bogumil et al. | 2006
- 2317
-
Cation–π complexes between alkali metal cation and para-halogenophenols. Structures, binding energies and thermodynamic properties: DFT study and CCSD(T) complete basis set limit calculations§Zierkiewicz, W. / Michalska, D. / Černý, J. / Hobza, P. et al. | 2006
- 2317
-
Cation-Pi complexes between alkali metal cation and para-halogenophenols. Structures, binding energies and thermodynamic properties: DFT study and CCSD(T) complete basis set limit calculationsZierkiewicz, W. / Michalska, D. / Cerny, J. / Hobza, P. et al. | 2006
- 2327
-
Proton bound open shell systems – theoretical studies on O2H+(O2)n (n = 1–6) complexes¶Szymczak, J. J. / Gora, R. W. / Roszak, S. / Majumdar, D. / Wang, J. / Grabowski, S. J. / Leszczynski, J. et al. | 2006
- 2337
-
On the role of high excitations in the intermolecular potential of H2–CONoga, Jozef / Kállay, Mihály / Valiron, Pierre et al. | 2006
- 2347
-
Addition of hydrogen atom/hydride anion to the double bonds of cytosine tautomers: radical and anion structures and energeticsZhang, J. D. / Xie, Y. / Schaefer, H. F.III / Luo, Q. / Li, Q.-S. et al. | 2006
- 2367
-
Many-body Brillouin–Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH∥Papp, P. / Mach, P. / Pittner, J. / Huba[cbreve], I. / Wilson, S. et al. | 2006
- 2387
-
Ab initio potential energy curves, transition dipole moments and spin–orbit coupling matrix elements for the first twenty states of the calcium dimer§Bussery-Honvault, Béatrice / Moszynski, Robert et al. | 2006
- 2403
-
Hidden symmetry in Fermi-contact NMR spin–spin coupling constantsPerera, S. Ajith / Bartlett, Rodney J. et al. | 2006