Semiclassical electron correlation operator (English)
National licence
- New search for: Rassolov, Vitaly A.
- New search for: Rassolov, Vitaly A.
In:
The Journal of Chemical Physics
;
131
, 20
;
204102-
;
2009
- Article (Journal) / Electronic Resource
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Title:Semiclassical electron correlation operator
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Contributors:Rassolov, Vitaly A. ( author )
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Published in:The Journal of Chemical Physics ; 131, 20 ; 204102-
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Publisher:
- New search for: American Institute of Physics
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Publication date:2009-11-28
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Size:5 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:English
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Source:
Table of contents – Volume 131, Issue 20
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.
- 201101
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Universal nonexponential relaxation: Complex dynamics in simple liquidsTurton, David A. / Wynne, Klaas et al. | 2009
- 204101
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Obtaining Hartree–Fock and density functional theory doubly excited states with Car–Parrinello density matrix searchLiang, Wenkel / Isborn, Christine M. / Li, Xiaosong et al. | 2009
- 204102
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Semiclassical electron correlation operatorRassolov, Vitaly A. et al. | 2009
- 204103
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Quantum mechanical corrections to simulated shock Hugoniot temperaturesGoldman, Nir / Reed, Evan J. / Fried, Laurence E. et al. | 2009
- 204104
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Comparative study of multireference perturbative theories for ground and excited statesHoffmann, Mark R. / Datta, Dipayan / Das, Sanghamitra / Mukherjee, Debashis / Szabados, A´gnes / Rolik, Zolta´n / Surja´n, Pe´ter R. et al. | 2009
- 204105
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Symmetries of the master equation and long-lived states of nuclear spinsKarabanov, Alexander A. / Bretschneider, Christian / Ko¨ckenberger, Walter et al. | 2009
- 204301
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Fourier transform microwave spectroscopy and molecular structure of the 1,1-difluoroethylene-hydrogen fluoride complexLeung, Helen O. / Marshall, Mark D. / Drake, Tasha L. / Pudlik, Tadeuz / Savji, Nazir / McCune, Daniel W. et al. | 2009
- 204302
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Fourier transform microwave spectroscopy and molecular structure of the trans-1,2-difluoroethylene-hydrogen fluoride complexLeung, Helen O. / Marshall, Mark D. / Amberger, Brent K. et al. | 2009
- 204303
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Construction of theoretical hybrid potential energy curves for LiH(X 1Σ+)Cooper, Ian L. / Dickinson, Alan S. et al. | 2009
- 204304
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H atom formation from benzene and toluene photoexcitation at 248 nmKova´cs, Tama´s / Blitz, Mark A. / Seakins, Paul W. / Pilling, Michael J. et al. | 2009
- 204305
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Binary rototranslational hyper-Rayleigh spectra of H2–He gas mixtureGodet, J.-L. / Bancewicz, T. / Głaz, W. / Maroulis, G. / Haskopoulos, A. et al. | 2009
- 204306
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The effect of intracluster photoelectron interactions on the angular distribution in I−⋅CH3I photodetachmentVan Duzor, Matthew / Wei, Jie / Mbaiwa, Foster / Mabbs, Richard et al. | 2009
- 204307
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Heavy atom nitroxyl radicals. III. Identification of the Cl2P=S free radical in the gas phase by laser spectroscopy and ab initio calculationsYang, Jie / Zhang, Xiaopeng / Clouthier, Dennis J. / Tarroni, Riccardo et al. | 2009
- 204308
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S1/S2 excitonic splittings and vibronic coupling in the excited state of the jet-cooled 2-aminopyridine dimerOttiger, Philipp / Leutwyler, Samuel / Ko¨ppel, Horst et al. | 2009
- 204309
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Accurate analytic potentials for Li2(X 1Σg+) and Li2(A 1Σu+) from 2 to 90 A˚, and the radiative lifetime of Li(2p)Le Roy, Robert J. / Dattani, Nikesh S. / Coxon, John A. / Ross, Amanda J. / Crozet, Patrick / Linton, Colan et al. | 2009
- 204310
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Clusters of classical water modelsKiss, Pe´ter T. / Baranyai, Andra´s et al. | 2009
- 204311
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UV/visible spectroscopy of matrix-isolated hexa-peri-hexabenzocoronene: Interacting electronic states and astrophysical contextRouille´, Gae¨l / Steglich, Mathias / Huisken, Friedrich / Henning, Thomas / Mu¨llen, Klaus et al. | 2009
- 204312
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Direct absorption spectroscopy of water clusters formed in a continuous slit nozzle expansionMoudens, A. / Georges, R. / Goubet, M. / Makarewicz, J. / Lokshtanov, S. E. / Vigasin, A. A. et al. | 2009
- 204313
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Structural and electronic properties of oxidized sodium clusters: A combined photoelectron and density functional studyMajer, Kiran / Lei, Ma / Hock, Christian / von Issendorff, Bernd / Aguado, Andre´s et al. | 2009
- 204314
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Further aspects on the control of photodissociation in light-induced potentialsChang, Bo Y. / Shin, Seokmin / Sola, Ignacio R. et al. | 2009
- 204501
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Stabilizing a 22 karat nanogolden cageWang, Q. / Sun, Q. / Jena, P. et al. | 2009
- 204502
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The role of intramolecular barriers on the glass transition of polymers: Computer simulations versus mode coupling theoryBernabei, Marco / Moreno, Angel J. / Colmenero, Juan et al. | 2009
- 204503
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Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite heightZhou, Shiqi / Solana, J. R. et al. | 2009
- 204504
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Semiclassical nonlinear response functions for coupled anharmonic vibrationsGruenbaum, Scott M. / Loring, Roger F. et al. | 2009
- 204505
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Hybrid quantum/classical simulation of the vibrational relaxation of the bend fundamental in liquid waterBastida, Adolfo / Zu´n˜iga, Jose´ / Requena, Alberto / Miguel, Beatriz et al. | 2009
- 204506
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Soft-sphere soft glassesHeyes, D. M. / Clarke, S. M. / Bran´ka, A. C. et al. | 2009
- 204507
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One dimensional model for water and aqueous solutions. Part V. Monte Carlo simulation of dilute solutions of hard rod in waterlike particlesLyubartsev, Alexander / Ben-Naim, Arieh et al. | 2009
- 204508
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Translation-rotation correction factor in the theory of homogeneous nucleationVosel, S. V. / Onischuk, A. A. / Purtov, P. A. et al. | 2009
- 204509
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Calculation of the dielectric constant ε and first nonlinear susceptibility χ(2) of crystalline potassium dihydrogen phosphate by the coupled perturbed Hartree–Fock and coupled perturbed Kohn–Sham schemes as implemented in the CRYSTAL codeLacivita, Valentina / Re´rat, Michel / Kirtman, Bernard / Ferrero, Mauro / Orlando, Roberto / Dovesi, Roberto et al. | 2009
- 204510
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Optimized, unequal pulse spacing in multiple echo sequences improves refocusing in magnetic resonanceJenista, Elizabeth R. / Stokes, Ashley M. / Branca, Rosa Tamara / Warren, Warren S. et al. | 2009
- 204701
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Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulationD’Arco, Philippe / Noel, Yves / Demichelis, Raffaella / Dovesi, Roberto et al. | 2009
- 204702
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Spin-polarized transport and the electronic structure of the metallic antiferromagnet Fe(thiazole)2Cl2Zhu, L. / Yao, K. L. / Liu, Z. L. et al. | 2009
- 204703
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Substrate-mediated diffusion-induced growth of single-crystal nanowiresMohammad, S. Noor et al. | 2009
- 204704
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The molecular dynamics simulation of ion-induced ripple growthSu¨le, P. / Heinig, K.-H. et al. | 2009
- 204705
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A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of stateGross, Joachim et al. | 2009
- 204901
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Atomic motions in poly(vinyl methyl ether): A combined study by quasielastic neutron scattering and molecular dynamics simulations in the light of the mode coupling theoryCapponi, S. / Arbe, A. / Alvarez, F. / Colmenero, J. / Frick, B. / Embs, J. P. et al. | 2009
- 204902
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Critical Casimir interaction of ellipsoidal colloids with a planar wallKondrat, S. / Harnau, L. / Dietrich, S. et al. | 2009
- 204903
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Molecular dynamics characterization of void defects in crystalline (1,3,5-trinitro-1,3,5-triazacyclohexane)Boyd, Sylke / Murray, Jane S. / Politzer, Peter et al. | 2009
- 204904
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Phase separations in mixtures of a liquid crystal and a nanocolloidal particleMatsuyama, Akihiko et al. | 2009
- 205101
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Free energies of stable and metastable pores in lipid membranes under tensionden Otter, Wouter K. et al. | 2009
- 205102
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A theoretical analysis on characteristics of protein structures induced by cold denaturationOshima, Hiraku / Yoshidome, Takashi / Amano, Ken-ichi / Kinoshita, Masahiro et al. | 2009
- 206101
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Smooth potential energy surface for cavitation, dispersion, and repulsion free energies in polarizable continuum modelWang, Yali / Li, Hui et al. | 2009