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Cioslowski, Jerzy, Weniger, Ernst Joachim (1993) Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes. Journal of Computational Chemistry, 14 (12). 1468-1481 doi:10.1002/jcc.540141209

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Reference TypeJournal (article/letter/editorial)
TitleBulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes
JournalJournal of Computational Chemistry
AuthorsCioslowski, JerzyAuthor
Weniger, Ernst JoachimAuthor
Year1993 (December)Volume14
Issue12
PublisherWiley
DOIdoi:10.1002/jcc.540141209Search in ResearchGate
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Mindat Ref. ID3146024Long-form Identifiermindat:1:5:3146024:6
GUID0
Full ReferenceCioslowski, Jerzy, Weniger, Ernst Joachim (1993) Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes. Journal of Computational Chemistry, 14 (12). 1468-1481 doi:10.1002/jcc.540141209
Plain TextCioslowski, Jerzy, Weniger, Ernst Joachim (1993) Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes. Journal of Computational Chemistry, 14 (12). 1468-1481 doi:10.1002/jcc.540141209
In(1993, December) Journal of Computational Chemistry Vol. 14 (12) Wiley

See Also

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Cioslowski, Jerzy (1993) Bulk properties from finite‐cluster calculations. VII. Accurate ab initio calculations on the Peierls distortions in polyacene. The Journal of Chemical Physics, 98 (1). 473-477 doi:10.1063/1.464641
Cioslowski, J. (1990) Bulk properties from finite‐cluster calculations. V. Pseudo‐Wannier orbitals from molecular orbital calculations on finite clusters. The Journal of Chemical Physics, 92 (2). 1236-1239 doi:10.1063/1.458132
Cioslowski, J., Lepetit, M. B. (1991) Bulk properties from finite‐cluster calculations. VI. A finite‐size perturbation theory for the Hartree–Fock energy of linear oligomers. The Journal of Chemical Physics, 95 (5). 3536-3548 doi:10.1063/1.460856
Safi, Zaki S., Wazzan, Nuha (2021) Benchmark calculations of proton affinity and gas‐phase basicity using multilevel ( G4 and G3B3 ), B3LYP and MP2 computational methods of para‐substituted benzaldehyde compounds. Journal of Computational Chemistry, 42 (16) 1106-1117 doi:10.1002/jcc.26538
Ishimura, Kazuya, Pulay, Peter, Nagase, Shigeru (2007) New parallel algorithm for MP2 energy gradient calculations. Journal of Computational Chemistry, 28 (12). 2034-2042 doi:10.1002/jcc.20731
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Schweitzer, Robert C., Small, Gary W. (1993) Application of parallel processing techniques to improving the efficiency of MM2 molecular mechanics calculations. Journal of Computational Chemistry, 14 (8). 977-985 doi:10.1002/jcc.540140813
Lee, Frederick S., Chu, Zhen Tao, Warshel, Arieh (1993) Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs. Journal of Computational Chemistry, 14 (2). 161-185 doi:10.1002/jcc.540140205
Cioslowski, J. (1988) On extracting the bulk properties from results of small cluster calculations. Chemical Physics Letters, 153. 446-450 doi:10.1016/0009-2614(88)85241-2
Matito, Eduard, Cioslowski, Jerzy, Vyboishchikov, Sergei F. (2010) Properties of harmonium atoms from FCI calculations: Calibration and benchmarks for the ground state of the two-electron species. Physical Chemistry Chemical Physics, 12 (25). 6712pp. doi:10.1039/b926389f
Baker, Jon, Pulay, Peter (2002) An efficient parallel algorithm for the calculation of canonical MP2 energies. Journal of Computational Chemistry, 23 (12). 1150-1156 doi:10.1002/jcc.10071
 
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