A finite difference Hartree–Fock program for atoms and diatomic molecules (English)
- New search for: Kobus, Jacek
- New search for: Kobus, Jacek
In:
Computer Physics Communications
;
184
, 3
;
799-811
;
2012
-
ISSN:
- Article (Journal) / Electronic Resource
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Title:A finite difference Hartree–Fock program for atoms and diatomic molecules
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Contributors:Kobus, Jacek ( author )
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Published in:Computer Physics Communications ; 184, 3 ; 799-811
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2012-09-28
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Size:13 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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Keywords:
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Source:
Table of contents – Volume 184, Issue 3
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.
- 445
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Petascale turbulence simulation using a highly parallel fast multipole method on GPUsYokota, Rio / Barba, L.A. / Narumi, Tetsu / Yasuoka, Kenji et al. | 2012
- 456
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Multi-physics simulations using a hierarchical interchangeable software interfacePortegies Zwart, Simon F. / McMillan, Stephen L.W. / van Elteren, Arjen / Pelupessy, F. Inti / de Vries, Nathan et al. | 2012
- 469
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Performance analysis of the FDTD method applied to holographic volume gratings: Multi-core CPU versus GPU computingFrancés, J. / Bleda, S. / Neipp, C. / Márquez, A. / Pascual, I. / Beléndez, A. et al. | 2012
- 480
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High-order symplectic FDTD scheme for solving a time-dependent Schrodinger equationShen, J. / Sha, W. E. / Huang, Z. / Chen, M. / Wu, X. et al. | 2013
- 480
-
High-order symplectic FDTD scheme for solving a time-dependent Schrödinger equationShen, Jing / Sha, Wei E.I. / Huang, Zhixiang / Chen, Mingsheng / Wu, Xianliang et al. | 2012
- 493
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A two-parameter continuation algorithm for vortex pinning in rotating Bose–Einstein condensatesJeng, B.-W. / Wang, Y.-S. / Chien, C.-S. et al. | 2012
- 509
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Generating pure gauge lattice QCD configurations on GPUs with CUDACardoso, Nuno / Bicudo, Pedro et al. | 2012
- 509
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Generating pure gauge lattice QCD configurations on GPUs with CUDACardoso, Nuno et al. | 2013
- 519
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Lattice QCD with open boundary conditions and twisted-mass reweightingLüscher, Martin / Schaefer, Stefan et al. | 2012
- 529
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The new class of implicit -stable hybrid Obrechkoff method for the numerical solution of first order initial value problemsShokri, Ali / Shokri, Abbas Ali et al. | 2012
- 529
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The new class of implicit -stable hybrid Obrechkoff method for the numerical solution of first order initial value problemsShokri, Ali et al. | 2013
- 532
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GPU-accelerated numerical simulations of the Knudsen gas on time-dependent domainsDe Vuyst, Florian / Salvarani, Francesco et al. | 2012
- 537
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Fast discontinuous Galerkin lattice-Boltzmann simulations on GPUs via maximal kernel fusionMazzeo, Marco D. et al. | 2012
- 550
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Bound state calculation of two-component Klein–Gordon equation with Damped-Relaxation techniqueEbadi, Hossein et al. | 2012
- 557
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A short introduction to numerical linked-cluster expansionsTang, Baoming / Khatami, Ehsan / Rigol, Marcos et al. | 2012
- 565
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Numerical solution of two-dimensional sine-Gordon and MBE models using Fourier spectral and high order explicit time stepping methodsAsgari, Zohreh / Hosseini, S.M. et al. | 2012
- 573
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A fast fine-grained genetic algorithm for spectrum fitting: An application to X-ray spectraBrunetti, Antonio et al. | 2012
- 579
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Some comments on the evaluation of the Chandrasekhar functionMohankumar, N. / Rawat, Ajay et al. | 2012
- 579
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Some comments on the evaluation of the Chandrasekhar functionMohankumar, N. et al. | 2013
- 582
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Kansa method for the solution of a parabolic equation with an unknown spacewise-dependent coefficient subject to an extra measurementParand, K. / Rad, J.A. et al. | 2012
- 596
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GPU-based flow simulation with detailed chemical kineticsLe, Hai P. / Cambier, Jean-Luc / Cole, Lord K. et al. | 2012
- 607
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Finite Fourier transforms computed by a modified Filon–Euler–Maclaurin methodSprung, D.W.L. / Betti, M.I. / van Dijk, W. et al. | 2012
- 617
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Optimization strategies for CPU and GPU implementations of a smoothed particle hydrodynamics methodDomínguez, Jose M. / Crespo, Alejandro J.C. / Gómez-Gesteira, Moncho et al. | 2012
- 628
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Simulations of driven overdamped frictionless hard spheresLerner, Edan / Düring, Gustavo / Wyart, Matthieu et al. | 2012
- 638
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Parallel universal access layer: A scalable I/O library for integrated tokamak modelingGalonska, A. / Gibbon, P. / Imbeaux, F. / Frauel, Y. / Guillerminet, B. / Manduchi, G. / Wolf, F. et al. | 2012
- 647
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BerryPI: A software for studying polarization of crystalline solids with WIEN2k density functional all-electron packageAhmed, S.J. / Kivinen, J. / Zaporzan, B. / Curiel, L. / Pichardo, S. / Rubel, O. et al. | 2012
- 652
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Canonical ensemble simulation of biopolymers using a coarse-grained articulated generalized divide-and-conquer schemePoursina, Mohammad / Anderson, Kurt S. et al. | 2012
- 661
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A simple non-Markovian computational model of the statistics of soccer leagues: Emergence and scaling effectsda Silva, Roberto / Vainstein, Mendeli H. / Lamb, Luis C. / Prado, Sandra D. et al. | 2012
- 671
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Implicit integrations for SPH in semi-Lagrangian approach: Application to the accretion disc modeling in a microquasarLanzafame, G. et al. | 2012
- 689
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Numerical determination of partial spectrum of Hermitian matrices using a Lánczos method with selective reorthogonalizationJohnson, Chris / Kennedy, A.D. et al. | 2012
- 689
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Numerical determination of partial spectrum of Hermitian matrices using a Lanczos method with selective reorthogonalizationJohnson, C. / Kennedy, A. D. et al. | 2013
- 698
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Proposal for generalised supersymmetry Les Houches Accord for see-saw models and PDG numbering schemeBasso, L. / Belyaev, A. / Chowdhury, D. / Hirsch, M. / Khalil, S. / Moretti, S. / O’Leary, B. / Porod, W. / Staub, F. et al. | 2012
- 720
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Numerical methods for kinetic equations in semiconductor superlatticesAlvaro, M. / Cebrián, E. / Carretero, M. / Bonilla, L.L. et al. | 2012
- 732
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On the consistency of MPSSouto-Iglesias, Antonio / Macià, Fabricio / González, Leo M. / Cercos-Pita, Jose L. et al. | 2012
- 746
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Simulation of the spin polarization and the charge transport in Zener tunnel junctions based on ferromagnetic GaAs and ZnOComesaña, E. / Aldegunde, M. / Garcia-Loureiro, A.J. et al. | 2012
- 757
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Statistical identification of structural rearrangement events in molecular dynamics trajectoriesBingemann, Dieter et al. | 2012
- 765
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Pseudorandom sequence generator based on the Chen chaotic systemHu, HanPing / Liu, LingFeng / Ding, NaiDa et al. | 2012
- 769
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Imaginary time propagation code for large-scale two-dimensional eigenvalue problems in magnetic fieldsLuukko, P.J.J. / Räsänen, E. et al. | 2012
- 777
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An improved Marching Cube algorithm for 3D data segmentationMasala, G.L. / Golosio, B. / Oliva, P. et al. | 2012
- 783
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A Matlab-based finite-difference solver for the Poisson problem with mixed Dirichlet–Neumann boundary conditionsReimer, Ashton S. / Cheviakov, Alexei F. et al. | 2012
- 799
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A finite difference Hartree–Fock program for atoms and diatomic moleculesKobus, Jacek et al. | 2012
- 812
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GSGPEs: A MATLAB code for computing the ground state of systems of Gross–Pitaevskii equationsCaliari, Marco / Rainer, Stefan et al. | 2012
- 824
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- 833
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RPMDrate: Bimolecular chemical reaction rates from ring polymer molecular dynamicsSuleimanov, Yu.V. / Allen, J.W. / Green, W.H. et al. | 2012
- 841
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In silico FRET from simulated dye dynamicsHoefling, Martin / Grubmüller, Helmut et al. | 2012
- 853
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Qcompiler: Quantum compilation with the CSD methodChen, Y.G. / Wang, J.B. et al. | 2012
- 866
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LEOrbit: A program to calculate parameters relevant to modeling Low Earth Orbit spacecraft–plasma interactionMarchand, R. / Purschke, D. / Samson, J. et al. | 2012
- 873
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MCMC2 : A Monte Carlo code for multiply-charged clustersBonhommeau, David A. / Gaigeot, Marie-Pierre et al. | 2012
- 885
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A computer program to evaluate the NVM propagator for rigid asymmetric tops for use in path integral simulations of rigid bodiesMcBride, Carl / Noya, Eva G. / Vega, Carlos et al. | 2012
- 891
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SAWdoubler: A program for counting self-avoiding walksSchram, Raoul D. / Barkema, Gerard T. / Bisseling, Rob H. et al. | 2012
- 899
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SuSeFLAV 1.2: Program for supersymmetric mass spectra with seesaw mechanism and rare lepton flavor violating decaysChowdhury, Debtosh / Garani, Raghuveer / Vempati, Sudhir K. et al. | 2012
- 919
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The Monte Carlo event generator AcerMC versions 2.0 to 3.8 with interfaces to PYTHIA 6.4, HERWIG 6.5 and ARIADNE 4.1Kersevan, Borut Paul / Richter-Wa̧s, Elzbieta et al. | 2012
- 986
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HELAC-NLOBevilacqua, G. / Czakon, M. / Garzelli, M.V. / van Hameren, A. / Kardos, A. / Papadopoulos, C.G. / Pittau, R. / Worek, M. et al. | 2012
- 998
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vh@nnlo—Higgs Strahlung at hadron collidersBrein, Oliver / Harlander, Robert V. / Zirke, Tom J.E. et al. | 2012
- 1004
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SUSY_FLAVOR v2: A computational tool for FCNC and CP-violating processes in the MSSMCrivellin, A. / Rosiek, J. / Chankowski, P.H. / Dedes, A. / Jäger, S. / Tanedo, P. et al. | 2012
- 1033
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A geometric multigrid Poisson solver for domains containing solid inclusionsBotto, Lorenzo et al. | 2012
- 1045
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ASP: Automated symbolic computation of approximate symmetries of differential equationsJefferson, G.F. / Carminati, J. et al. | 2012
- 1064
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A Mathematica package for calculation of planar channeling radiation spectra of relativistic electrons channeled in a diamond-structure single crystal (quantum approach)Azadegan, B. et al. | 2012
- 1070
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GENXICC2.1: An improved version of GENXICC for hadronic production of doubly heavy baryonsWang, Xian-You / Wu, Xing-Gang et al. | 2012
- 1075
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Program package for multicanonical simulations of U(1) lattice gauge theory—Second versionBazavov, Alexei / Berg, Bernd A. et al. | 2012
- IFC
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Editorial Board| 2012