Decay behavior of least-squares coefficients in auxiliary basis expansions
Gill, P M W, Gilbert, A T B, Taylor, S W, Friesecke, G, Head-Gordon, M
Published in The Journal of chemical physics (08.08.2005)
Published in The Journal of chemical physics (08.08.2005)
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Journal Article
Multiply-charged cations: remarkable structures and stabilities
Radom, L., Gill, P. M. W., Wong, M. W., Nobes, R. H.
Published in Pure and applied chemistry (01.01.1988)
Published in Pure and applied chemistry (01.01.1988)
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Journal Article
Molecular electronic structure in one-dimensional Coulomb systems
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Journal Article
Kohn—Sham density-functional theory within a finite basis set
Pople, John A., Gill, Peter M.W., Johnson, Benny G.
Published in Chemical physics letters (20.11.1992)
Published in Chemical physics letters (20.11.1992)
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Journal Article
Isomers of C20. Dramatic effect of gradient corrections in density functional theory
KRISHNAN RAGHAVACHARI, STROUT, D. L, ODOM, G. K, SCUSERIA, G. E, POPLE, J. A, JOHNSON, B. G, GILL, P. M. W
Published in Chemical physics letters (05.11.1993)
Published in Chemical physics letters (05.11.1993)
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Journal Article
Isomers of C24. Density functional studies including gradient corrections
KRISHNAN RAGHAVACHARI, BULIN ZHANG, POPLE, J. A, JOHNSON, B. G, GILL, P. M. W
Published in Chemical physics letters (08.08.1994)
Published in Chemical physics letters (08.08.1994)
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Journal Article
Computing molecular electrostatic potentials with the PRISM algorithm
Johnson, Benny G., Gill, Peter M.W., Pople, John A., Fox, Douglas J.
Published in Chemical physics letters (30.04.1993)
Published in Chemical physics letters (30.04.1993)
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Journal Article
A simple yet powerful upper bound for Coulomb integrals
Gill, Peter M.W., Johnson, Benny G., Pople, John A.
Published in Chemical physics letters (07.01.1994)
Published in Chemical physics letters (07.01.1994)
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Journal Article
A rotationally invariant procedure for density functional calculations
Johnson, Benny G., Gill, Peter M.W., Pople, John A.
Published in Chemical physics letters (08.08.1994)
Published in Chemical physics letters (08.08.1994)
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Journal Article
Exact exchange functional for the hydrogen atom
Gill, PM, Pople, JA
Published in Physical review. A, Atomic, molecular, and optical physics (01.03.1993)
Published in Physical review. A, Atomic, molecular, and optical physics (01.03.1993)
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Journal Article