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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 36, 1978 - Issue 5
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Original Articles

Diagrammatic perturbation theory: evaluation of fourth-order energy terms involving quadruply-excited states for closed-shell systems

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Pages 1539-1548 | Received 17 Apr 1978, Published online: 23 Aug 2006

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Read on this site (6)

GeerdH.F. Diercksen, Vladimir Kellö & AndrzejJ. Sadlej. (1983) Finite-field many-body perturbation theory. Molecular Physics 49:3, pages 711-725.
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Vladimír Kvasnička, Viliam Laurinc & Stanislav Biskupič. (1980) Wigner's (2n + 1) rule in MBPT. Molecular Physics 39:1, pages 143-161.
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Miroslav Urban & Vladimír Kellö. (1979) Applications of perturbation theory to the chemical problems potential energy curves of BH, F2 and N2 . Molecular Physics 38:5, pages 1621-1633.
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Articles from other publishers (31)

P. Palmieri & A. Laganà. (1989) An accurate evaluation of the stationary points of the LiFH potential energy surface. The Journal of Chemical Physics 91:11, pages 7303-7305.
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Paolo Palmieri, Ernesto Garcia & Antonio Laganá. (1988) A potential energy surface for the Li+HCl reaction. The Journal of Chemical Physics 88:1, pages 181-190.
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Miroslav Urban, Ivan Černušák, Vladimír Kellö & Jozef Noga. 1987. Methods in Computational Chemistry. Methods in Computational Chemistry 117 250 .
Krishnan Raghavachari. (1985) An augmented coupled cluster method and its application to the first-row homonuclear diatomics. The Journal of Chemical Physics 82:10, pages 4607-4610.
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Krishnan Raghavachari. (1985) Basis set and electron correlation effects on the electron affinities of first row atoms. The Journal of Chemical Physics 82:9, pages 4142-4146.
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I. Hubač & A. J. Sadlej. (1982) Many-body theory of correlation effects in externally perturbed systems. Czechoslovak Journal of Physics 32:10, pages 1116-1125.
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G. L. Bendazzoli, S. Evangelisti & G. Fano. (1982) The higher-order fast CI. Il Nuovo Cimento D 1:1, pages 21-27.
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Geerd H.F. Diercksen & Andrzej J. Sadlej. (1981) Perturbation theory of the electron correlation effects for atomic and molecular properties. III. Fourth-order corrections to molecular dipole moments and polarizabilities. Chemical Physics 61:3, pages 293-304.
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G. H. F. Diercksen & A. J. Sadlej. (1981) Perturbation theory of the electron correlation effects for atomic and molecular properties. Second- and third-order correlation corrections to molecular dipole moments and polarizabilities. The Journal of Chemical Physics 75:3, pages 1253-1266.
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Jozef Noga, Miroslav Urban, Vladimír Kellö & Ivan Hubač. (1981) Fourth-order diagrammatic MB-RSPT calculations of the interaction energy between two helium atoms. Theoretica Chimica Acta 59:3, pages 309-317.
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S Wilson. (1981) Scaling in second-order electron correlation calculations. II. Journal of Physics B: Atomic and Molecular Physics 14:3, pages L31-L35.
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Vladimír Kvasnička. (1981) Complete fourth-order calculations of the correlation energy of closed-shell molecules by diagrammatic RSPT. Chemical Physics Letters 78:1, pages 98-101.
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V. Kvasnička, V. Laurinc & S. Biskupič. (1981) Complete fourth-order calculation of correlation energy for closed-shell molecules by diagrammatic RSPT. Czechoslovak Journal of Physics 31:1, pages 41-54.
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Stephen Wilson & Andrzej J. Sadlej. (1981) Finite-field many-body perturbation theory. Calculations of the dipole polarizability of the fluoride ion using electric-field-variant gaussian-type orbitals. Theoretica Chimica Acta 60:1, pages 19-39.
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Ivan Hubač & Petr Čársky. (1980) Correlation energy of open-shell systems. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism. Physical Review A 22:6, pages 2392-2399.
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Vladimir Kellö & Miroslav Urban. (2004) Fourth‐order diagrammatic MB – RSPT calculations of the correlation energy: N 2 , CO, F 2 and the reaction energy of the process ½F 2 + ½H 2 = HF . International Journal of Quantum Chemistry 18:6, pages 1431-1448.
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R McWeeny & B T Pickup. (1980) Quantum theory of molecular electronic structure. Reports on Progress in Physics 43:9, pages 1065-1144.
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Stephen Wilson & Martyn F. Guest. (1980) Effect of basis-set completeness on the relative importance of triply and quadruply excited configurations in correlation energy calculations. Chemical Physics Letters 73:3, pages 607-611.
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Roger D. Amos. (1980) Corrections to molecular one-electron properties using møller-plesset perturbation theory. Chemical Physics Letters 73:3, pages 602-606.
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S. Wilson & V.R. Saunders. (1980) Diagrammatic many-body perturbation expansion for atoms and molecules V. Fourth-order linked diagrams involving triply-excited states. Computer Physics Communications 19:3, pages 293-297.
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David M. Silver. (1980) Rotationally inelastic collisions of LiH with He. I. A b   i n i t i o potential energy surface . The Journal of Chemical Physics 72:12, pages 6445-6451.
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David M. Silver. (1980) Interaction energy between two ground-state helium atoms using many-body perturbation theory. Physical Review A 21:4, pages 1106-1117.
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R. Krishnan, M. J. Frisch & J. A. Pople. (1980) Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory. The Journal of Chemical Physics 72:7, pages 4244-4245.
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Miroslav Urban, Ivan Hubac̆, Vladimír Kellö & Jozef Noga. (1980) The fourth order diagrammatic MB-RSPT calculations of the correlation energy of ten electron systems. The Journal of Chemical Physics 72:5, pages 3378-3385.
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Stephen Wilson & David M. Silver. (1980) Diagrammatic perturbation theory: An application to the nitrogen, carbon monoxide, and boron fluoride molecules using a universal even-tempered basis set. The Journal of Chemical Physics 72:3, pages 2159-2165.
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Ivan Hubač. (2004) Comments on the exclusion‐principle‐violating diagrams cancellation in correlations energy calculation by many‐body Rayleigh–Schrödinger perturbation theory. International Journal of Quantum Chemistry 17:2, pages 195-209.
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Stephen Wilson & David M. Silver. (1979) On the contribution of higher-order excitations to correlation energies: The ground state of the water molecule. Theoretica Chimica Acta 54:1, pages 83-91.
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S Wilson. (1979) Diagrammatic perturbation theory: the contribution of triply excited states to correlation energies. Journal of Physics B: Atomic and Molecular Physics 12:22, pages L657-L660.
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S Wilson & V R Saunders. (1979) Diagrammatic perturbation theory: the contribution of triply-excited states to correlation energies. Journal of Physics B: Atomic and Molecular Physics 12:14, pages L403-L408.
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David M. Silver, Stephen Wilson & Carlos F. Bunge. (1979) Comparison within the algebraic approximation of configuration interaction and many-body perturbation theory for the Be ground state. Physical Review A 19:4, pages 1375-1382.
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Stephen Wilson & David M. Silver. (1979) Diagrammatic many-body perturbation expansion for atoms and molecules: IV. Fourth-order linked diagrams involving quadruply-excited states. Computer Physics Communications 17:1-2, pages 47-50.
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