An intracule is a quantum mechanical mathematical function for the two electron density which depends not upon the absolute values of position orâ€¦Â (More)

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2013

2013

We introduce the two-particle probability density X(x) of x = r12 Â· p12 = (r1 âˆ’ r2) Â· ( p1 âˆ’ p2). The fundamental equationsâ€¦Â (More)

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2011

2011

- Peter M. W. Gill
- 2011

1926 marked the beginning of a radically new chapter in the history of chemistry, for the advent of the SchrÃ¶dinger equationâ€¦Â (More)

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Review

2011

Review

2011

Density functional theory (DFT) has become the most popular by far of the panoply of methods in quantum chemistry and the reasonâ€¦Â (More)

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2010

2010

The approach used by Ahlrichs [Phys. Chem. Chem. Phys., 2006, 8, 3072] to derive the Obara-Saika recurrence relation (RR) for twoâ€¦Â (More)

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2004

2004

The Kellner wavefunction for a helium-like ion is the Hartreeâ€“Fock solution wherein the orbital is a Slater-type function withâ€¦Â (More)

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2003

2003

The computation of molecular Wigner intracules from Hartreeâ€“Fock wave functions using Gaussian basis functions is described. Theâ€¦Â (More)

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Review

2002

Review

2002

- Elvira Romera
- 2002

Electron-pair uncertainty relationships of generalized Heisenberg type in quantum mechanics are formulated. They expressâ€¦Â (More)

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2002

2002

- John M. Herbert, JOHN E. HARRIMAN
- 2002

We consider approximate reconstruction of spinless and spin-resolved two-electron charge densities, intracule densities, andâ€¦Â (More)

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1997

1997

A topological analysis of intracule and extracule densities and their Laplacians computed within the Hartreeâ€“Fock approximationâ€¦Â (More)

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1995

1995

Identities for the electron intracule density I~R! in atoms and molecules are derived within the Hillerâ€“Sucherâ€“Feinberg ~HSFâ€¦Â (More)

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