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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 85, 1995 - Issue 1
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Original Articles

Distributed Gaussian basis sets: description of the Hartree-Fock ground state energies of N2, CO and BF using s- and p-type Gaussian functions

D. Moncrieff Supercomputer Computations Research Institute, Florida State University, Tallahassee, FL, 32306, USA
&
S. Wilson Rutherford Appleton Laboratory, Chilton, Oxfordshire, OX11 0QX, UK
Pages 103-120 | Received 05 Dec 1994, Accepted 06 Jan 1995, Published online: 22 Aug 2006

Citations (13)

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Read on this site (2)

V.N. Glushkov & S. Wilson. (2014) On the Coulson–Fischer wave function for the X 1A′ H+3 molecular ion: parametrisation using distributed Gaussian basis sets. Molecular Physics 112:7, pages 904-918.
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JanM. L. Martin & PeterR. Taylor. (1999) Benchmark ab initio thermochemistry of the isomers of diimide, N2H2, using accurate computed structures and anharmonic force fields. Molecular Physics 96:4, pages 681-692.
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Articles from other publishers (11)

V N Glushkov, J Kobus & S Wilson. (2008) Distributed Gaussian basis sets: a comparison with finite difference Hartree–Fock calculations for potential energy curves of H 2 , LiH and BH . Journal of Physics B: Atomic, Molecular and Optical Physics 41:20, pages 205102.
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V. N. Glushkov & S. Wilson. (2007) Distributed basis sets of s-type Gaussian functions for simple diatomics: Anharmonic-model distribution. International Journal of Quantum Chemistry 107:14, pages 2632-2642.
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D. Moncrieff & S. Wilson. 2002. Quantum Systems in Chemistry and Physics Volume 2. Quantum Systems in Chemistry and Physics Volume 2 323 336 .
Jan M. L. Martin. 1999. Energetics of Stable Molecules and Reactive Intermediates. Energetics of Stable Molecules and Reactive Intermediates 373 415 .
S. Wilson. (1999) Distributed Gaussian basis sets: A stochastic variational approach for diatomic molecules. International Journal of Quantum Chemistry 74:5, pages 547-552.
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D Moncrieff & S Wilson. (1998) A universal basis set for high-precision molecular electronic structure studies: correlation effects in the ground states of , CO, BF and. Journal of Physics B: Atomic, Molecular and Optical Physics 31:17, pages 3819-3841.
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D. Moncrieff & S. Wilson. 1998. 157 172 .
S. Wilson & D. Moncrieff. 1997. 47 63 .
S. Wilson. (1996) Distributed basis sets ofs-type Gaussian functions for molecular electronic structure calculations: Applications of the Gaussian cell model to one-electron polycentric linear molecular systems. International Journal of Quantum Chemistry 60:1, pages 47-57.
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D Moncrieff & S Wilson. (1996) On the accuracy of the algebraic approximation in molecular electronic structure calculations: V. Electron correlation in the ground state of the nitrogen molecule. Journal of Physics B: Atomic, Molecular and Optical Physics 29:12, pages 2425-2451.
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S Wilson. (1995) On the expansion of molecular wavefunctions in a Gaussian basis set. Journal of Physics B: Atomic, Molecular and Optical Physics 28:16, pages L495-L503.
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