Resolutions of the Coulomb operator: II. The Laguerre generator (Unknown)
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In:
Chemical physics
;
356
, 1
; 86-90
;
2009
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ISSN:
- Article (Journal) / Print
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Title:Resolutions of the Coulomb operator: II. The Laguerre generator
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Contributors:Gill, Peter M.W. ( author ) / Gilbert, Andrew T.B.
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Published in:Chemical physics ; 356, 1 ; 86-90
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Publisher:
- New search for: Elsevier
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Place of publication:Amsterdam [u.a.]
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Publication date:2009
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:Unknown
- New search for: 35.00 / 35.10
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Keywords:
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Source:
Table of contents – Volume 356, Issue 1
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.
- 1
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On the one-particle basis set relaxation in R12 based theoriesNoga, Jozef / Šimunek, Ján et al. | 2008
- 7
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Orbital instabilities and spin-symmetry breaking in coupled-cluster calculations of indirect nuclear spin–spin coupling constantsAuer, Alexander A. / Gauss, Jürgen et al. | 2008
- 14
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Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theoryKlopper, Wim / Ruscic, Branko / Tew, David P. / Bischoff, Florian A. / Wolfsegger, Sandra et al. | 2008
- 25
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The geminal basis in explicitly correlated wave functionsHöfener, Sebastian / Tew, David P. / Klopper, Wim / Helgaker, Trygve et al. | 2008
- 31
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On the concepts of connectivity, separability, and consistency: An illustration by partitioned diagrams and numerical probingHanrath, Michael et al. | 2008
- 39
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The multi-reference retaining the excitation degree perturbation theory: A size-consistent, unitary invariant, and rapidly convergent wavefunction based ab initio approachFink, Reinhold F. et al. | 2008
- 47
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Evaluation of core and core–valence correlation contributions using the incremental schemeFriedrich, Joachim / Walczak, Katarzyna / Dolg, Michael et al. | 2008
- 54
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Use of a convenient size-extensive normalization in multi-reference coupled cluster (MRCC) theory with incomplete model space: A novel valence universal MRCC formulationMaitra, Rahul / Datta, Dipayan / Mukherjee, Debashis et al. | 2008
- 64
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A priori identification of configurational deadwoodBytautas, Laimutis / Ruedenberg, Klaus et al. | 2008
- 76
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Exploiting the flexibility of intermediate effective HamiltoniansHeully, Jean-Louis / Malrieu, Jean-Paul et al. | 2008
- 86
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Resolutions of the Coulomb operator: II. The Laguerre generatorGill, Peter M.W. / Gilbert, Andrew T.B. et al. | 2008
- 91
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Is size-consistency possible with density functional approximations?Savin, Andreas et al. | 2008
- 98
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Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchangeNeese, Frank / Wennmohs, Frank / Hansen, Andreas / Becker, Ute et al. | 2008
- 110
-
On the solution of the integral equation of the conductor-like screening model for real solventsFranke, Robert / Friedrich, Jürgen et al. | 2008
- 121
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Quantitative structure–activity relations based on quantum theory and wavelet transformationsBeck, Michael E. / Schindler, Michael et al. | 2008
- 131
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Global analysis of the high resolution infrared spectrum of methane 12CH4 in the region from 0 to 4800cm−1Albert, S. / Bauerecker, S. / Boudon, V. / Brown, L.R. / Champion, J.-P. / Loëte, M. / Nikitin, A. / Quack, M. et al. | 2008
- 147
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Optimization of mixed quantum-classical dynamics: Time-derivative coupling terms and selected couplingsPittner, Jiri / Lischka, Hans / Barbatti, Mario et al. | 2008
- 153
-
Ring current models for acetylene and ethylene moleculesPelloni, Stefano / Lazzeretti, Paolo et al. | 2008
- 164
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Dissociative electron attachment to methyl chloride: A quasi-diatomic potential curve for the fragmentation of the metastable Formula Not Shown anionMach, P. / Urban, J. / Staemmler, V. et al. | 2009
- 164
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Dissociative electron attachment to methyl chloride: A quasi-diatomic potential curve for the fragmentation of the metastable anionMach, P. et al. | 2009
- 164
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Dissociative electron attachment to methyl chloride: A quasi-diatomic potential curve for the fragmentation of the metastable anionMach, P. / Urban, J. / Staemmler, V. et al. | 2008
- 171
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Electron accepting abilities of arylborane derivatives: Effect of fluorine substituentsPeng, Bin / Li, Qian-Shu / Xie, Yaoming / Bruce King, R. / III, Henry F. Schaefer et al. | 2008
- 177
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Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field modelsBast, Radovan / Thorvaldsen, Andreas J. / Ringholm, Magnus / Ruud, Kenneth et al. | 2008
- 187
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4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compoundsBast, Radovan / Jusélius, Jonas / Saue, Trond et al. | 2008
- 195
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Relativistic effects in K-shell ionizations: SAC-CI general-R study based on the DK2 HamiltonianEhara, Masahiro / Kuramoto, Kei / Nakatsuji, Hiroshi et al. | 2008
- 199
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On the eigenfunctions of the Douglas–Kroll operatorvan Wüllen, Christoph et al. | 2008
- 205
-
Electromagnetic fields in relativistic one-particle equationsLuber, Sandra / Ondík, Irina Malkin / Reiher, Markus et al. | 2008
- 219
-
Excited states of : A comprehensive time-dependent relativistic density functional theory studyXu, Wenhua / Ma, Jianyi / Peng, Daoling / Zou, Wenli / Liu, Wenjian / Staemmler, Volker et al. | 2008
- 219
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Excited states of Formula Not Shown : A comprehensive time-dependent relativistic density functional theory studyXu, W. / Ma, J. / Peng, D. / Zou, W. / Liu, W. / Staemmler, V. et al. | 2009
- 219
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Excited states of: A comprehensive time-dependent relativistic density functional theory studyXu, Wenhua et al. | 2009
- 229
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Relativistic two-component calculations of electronic g-tensor for oxo-molybdenum(V) and oxo-tungsten(V) complexes: The important role of higher-order spin-orbit contributionsHrobárik, Peter / Malkina, Olga L. / Malkin, Vladimir G. / Kaupp, Martin et al. | 2008
- 236
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Restricted magnetically balanced basis applied for relativistic calculations of indirect nuclear spin–spin coupling tensors in the matrix Dirac–Kohn–Sham frameworkRepiský, Michal / Komorovský, Stanislav / Malkina, Olga L. / Malkin, Vladimir G. et al. | 2008
- 243
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Subject Index| 2009
- IFC
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IFC (Editorial Board)| 2009
- vii
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Electron correlation, molecular properties and relativity – A tribute to Werner Kutzelniggvan Wüllen, Christoph / Klopper, Wim / Mukherjee, Debashis et al. | 2009