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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 24, 1972 - Issue 1
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Original Articles

An application of a transcorrelated procedure to the calculation of the energy of the hydrogen molecule

E.A.G. Armour Department of Mathematics, University of Nottingham, Nottingham, NG7 2RDView further author information
Pages 181-203 | Received 01 Mar 1972, Published online: 23 Aug 2006

Citations (12)

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Read on this site (1)

F.R. Burden & R.M. Wilson. (1972) Optimum atomic orbitals for molecular calculations A review. Advances in Physics 21:94, pages 825-915.
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Articles from other publishers (11)

Abdallah Ammar, Anthony Scemama & Emmanuel Giner. (2023) Transcorrelated selected configuration interaction in a bi-orthonormal basis and with a cheap three-body correlation factor. The Journal of Chemical Physics 159:11.
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E A G Armour. (1984) Application of a generalisation of the Kohn variational method to the calculation of cross sections for low-energy positron-hydrogen-molecule scattering. Journal of Physics B: Atomic and Molecular Physics 17:11, pages L375-L382.
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Federico Moscardó & Gerardo Delgado‐Barrio. (2004) Simple technique to obtain correlated energy curves: LiH calculations. International Journal of Quantum Chemistry 19:1, pages 1-10.
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E A G Armour. (1980) The calculation of the ground-state energy of the free-electron gas by the transcorrelated method. Journal of Physics C: Solid State Physics 13:3, pages 343-348.
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P. N. Careless, D. Hyatt & L. Stanton. (2004) Removal of singularities in the numerical integrals for an STO basis set . International Journal of Quantum Chemistry 12:3, pages 569-578.
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J P Huggett & E A G Armour. (1976) The optimization of the nonlinear parameters in the transcorrelated method: the hydrogen molecule. Journal of Physics B: Atomic and Molecular Physics 9:18, pages 3263-3273.
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K. Jankowski. (2004) A characterization of pairs of subspaces for quantum chemical applications of the Galerkin–Petrov method. International Journal of Quantum Chemistry 10:4, pages 683-697.
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W. R. Fimple & M. J. Unwin. (2004) A finite‐difference approach to the electron correlation problem. International Journal of Quantum Chemistry 10:4, pages 643-658.
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R. McWeeny. 1976. The New World of Quantum Chemistry. The New World of Quantum Chemistry 3 31 .
G. G. Hall. 1976. Quantum Science. Quantum Science 433 444 .
Susan E. Rice & E.A.G. Armour. (1975) An application of a theorem of boys on numerical integration. Chemical Physics 11:1, pages 173-179.
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