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J. KOBUS, D. MONCRIEFF & S. WILSON. (2001) Visualization of deficiencies in approximate molecular wave functions: the local orbital energy function for the matrix Hartree—Fock model. Molecular Physics 99:4, pages 315-326.
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Articles from other publishers (5)
Susi Lehtola. (2019) A review on non‐relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules. International Journal of Quantum Chemistry 119:19.
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J Kobus, D Moncrieff & S Wilson. (2007)
Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree–Fock calculations for diatomic molecules: III. The ground states of N
2
, CO and BF
. Journal of Physics B: Atomic, Molecular and Optical Physics 40:5, pages 877-896.
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J Kobus, D Moncrieff & S Wilson. (2001) Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree-Fock calculations for diatomic molecules. Journal of Physics B: Atomic, Molecular and Optical Physics 34:24, pages 5127-5143.
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J Kobus, H M Quiney & S Wilson. (2001)
A comparison of finite difference and finite basis set Hartree-Fock calculations for the N
2
molecule with finite nuclei
. Journal of Physics B: Atomic, Molecular and Optical Physics 34:10, pages 2045-2056.
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D Moncrieff & S Wilson. (1999) Systematic construction of basis subsets of higher angular momentum functions in electron correlation energy calculations. Journal of Physics B: Atomic, Molecular and Optical Physics 32:22, pages 5379-5395.
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