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Kosov, D. S., Popelier, P. L. A. (2000) Convergence of the multipole expansion for electrostatic potentials of finite topological atoms. The Journal of Chemical Physics, 113 (10). 3969-3974 doi:10.1063/1.1288384

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Reference TypeJournal (article/letter/editorial)
TitleConvergence of the multipole expansion for electrostatic potentials of finite topological atoms
JournalThe Journal of Chemical Physics
AuthorsKosov, D. S.Author
Popelier, P. L. A.Author
Year2000 (September 8)Volume113
Issue10
PublisherAIP Publishing
DOIdoi:10.1063/1.1288384Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2255291Long-form Identifiermindat:1:5:2255291:6
GUID0
Full ReferenceKosov, D. S., Popelier, P. L. A. (2000) Convergence of the multipole expansion for electrostatic potentials of finite topological atoms. The Journal of Chemical Physics, 113 (10). 3969-3974 doi:10.1063/1.1288384
Plain TextKosov, D. S., Popelier, P. L. A. (2000) Convergence of the multipole expansion for electrostatic potentials of finite topological atoms. The Journal of Chemical Physics, 113 (10). 3969-3974 doi:10.1063/1.1288384
In(2000, September) The Journal of Chemical Physics Vol. 113 (10) AIP Publishing

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Popelier, P. L. A., Joubert, L., Kosov, D. S. (2001) Convergence of the Electrostatic Interaction Based on Topological Atoms. The Journal of Physical Chemistry A, 105 (35). 8254-8261 doi:10.1021/jp011511q
JOUBERT, L., POPELIER, P. L. A. (2002) Improved convergence of the ‘atoms in molecules’ multipole expansion of electrostatic interaction. Molecular Physics, 100. 3357-3365 doi:10.1080/00268970210152773
Rafat, M., Popelier, P. L. A. (2005) The electrostatic potential generated by topological atoms. II. Inverse multipole moments. The Journal of Chemical Physics, 123 (20). 204103pp. doi:10.1063/1.2126591
Kosov, D. S., Popelier, P. L. A. (2000) Atomic Partitioning of Molecular Electrostatic Potentials. The Journal of Physical Chemistry A, 104 (31). 7339-7345 doi:10.1021/jp0003407
Solano, C. J. F., Pendás, A. Martín, Francisco, E., Blanco, M. A., Popelier, P. L. A. (2010) Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm. The Journal of Chemical Physics, 132 (19). 194110pp. doi:10.1063/1.3430523
Popelier, P.L.A., Rafat, M. (2003) The electrostatic potential generated by topological atoms: a continuous multipole method leading to larger convergence regions. Chemical Physics Letters, 376. 148-153 doi:10.1016/s0009-2614(03)00957-6
Rafat, M., Popelier, P. L. A. (2006) A convergent multipole expansion for 1,3 and 1,4 Coulomb interactions. The Journal of Chemical Physics, 124 (14). 144102pp. doi:10.1063/1.2186993
Popelier, P. L. A., Kosov, D. S. (2001) Atom–atom partitioning of intramolecular and intermolecular Coulomb energy. The Journal of Chemical Physics, 114 (15). 6539-6547 doi:10.1063/1.1356013
Liem, S. Y., Popelier, P. L. A. (2003) High-rank quantum topological electrostatic potential: Molecular dynamics simulation of liquid hydrogen fluoride. The Journal of Chemical Physics, 119 (8). 4560-4566 doi:10.1063/1.1593012
Murray, Jane S., Grice, M. Edward, Politzer, Peter, Rabinowitz, James R. (1990) Evaluation of a finite multipole expansion technique for the computation of electrostatic potentials of dibenzo-p-dioxins and related systems. Journal of Computational Chemistry, 11 (1). 112-120 doi:10.1002/jcc.540110114
Herzig, P., Neckel, A. (1979) A new multipole expansion method for the calculation of the electrostatic part of lattice energies. Application to NaBrâ‹…2H2O. The Journal of Chemical Physics, 71 (5) 2131 doi:10.1063/1.438585
 
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