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- Valentin V. Karasiev, Travis Sjostrom, +4 authors Samuel B. Trickey
- 2014

Reliable, tractable computational characterization of warm dense matter is a challenging task because of the wide range of important aggregation states and effective interactions involved.â€¦ (More)

V. V. Karasiev,1,2,* R. S. Jones,3 S. B. Trickey,2,â€ and Frank E. Harris2,4 1Centro de QuÃmica, Instituto Venezolano de Investigaciones CientÃficas, Apartado 21827, Caracas 1020-A, Venezuela 2Quantumâ€¦ (More)

V.V. Karasiev, R.S. Jones, S.B. Trickey and Frank E. Harris Centro de QuÃmica, Instituto Venezolano de Investigaciones CientÃficas IVIC, Apartado 21827, Caracas 1020-A, Venezuela and Quantum Theoryâ€¦ (More)

- Frank E. Harris
- 2002

Extant analytic methods for evaluating two-center electron repulsion integrals in a Slater-type orbital (STO) basis using ellipsoidal coordinates and the Neumann expansion of 1/r12 have problems ofâ€¦ (More)

Many-electron systems confined at substantial finite temperatures and densities present a major challenge to density functional theory. In particular, there is comparatively little systematicâ€¦ (More)

- Frank E. Harris
- Journal of molecular modeling
- 2007

The subject paper by H. Safouhi (J Mol Model 12:213-220, 2006) presents a scheme based on a nonlinear convergence acceleration transformation for the numerical evaluation of two-center overlapâ€¦ (More)

- Frank E. Harris, Alexei M. Frolov, Vedene H. Smith
- The Journal of chemical physics
- 2004

Calculations of three-electron atomic systems in Hylleraas coordinates require integrals involving all the interparticle distances r(ij), which have usually been evaluated by introducing seriesâ€¦ (More)

- Frank E. Harris, Vedene H. Smith
- The journal of physical chemistry. A
- 2005

Wave functions which are compact, but still quite accurate, are extremely valuable as tools for gaining understanding of quantum systems. This paper investigates the use for that purpose of functionsâ€¦ (More)

- Frank E. Harris, Alexei M. Frolov, Vedene H. Smith
- The Journal of chemical physics
- 2004

Integrals which are individually singular, but which may be combined to yield convergent expressions, are needed for computations of relativistic effects and various properties of atomic andâ€¦ (More)

- Frank E. Harris, Alexei M. Frolov, Vedene H. Smith
- The Journal of chemical physics
- 2004

A paper by F. W. King, "Analysis of some integrals arising in the atomic four-electron problem", contains expressions which it is shown can be further simplified to an extent making the formulationâ€¦ (More)