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Intracule

An intracule is a quantum mechanical mathematical function for the two electron density which depends not upon the absolute values of position or… 
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Broader (2)

Computational chemistryComputational science
Density functional theoryElectronic structureQuantum mechanics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2016
2016
Quantum effects of nuclear motion in three-particle diatomic ions
A high accuracy, non-relativistic wavefunction is used to study nuclear motion in the ground state of three-particle {a+1a+2a-3… 
Review
2011
Review
2011
Intracule Functional Theory
Density functional theory (DFT) has become the most popular by far of the panoply of methods in quantum chemistry and the reason… 
2006
2006
Correlated wave functions to approach the bound excited states of Li- and Be-
Abstract.Explicitly correlated wave functions including a Jastrow factor to take into account the dynamical correlation effects… 
2002
2002
Electron-pair uncertainty relationships and the intracule-extracule isomorphism
Electron-pair uncertainty relationships of generalized Heisenberg type in quantum mechanics are formulated. They express… 
2000
2000
Interpretation of Molecular Intracule and Extracule Density Distributions in Terms of Valence Bond Structures: Two-Electron Systems and Processes
The topological features of molecular intracule and extracule densities and their Laplacian distributions computed at the HF and… 
1999
1999
Electron-pair densities of group 2 atoms in their and terms
Abstract:Electron-pair intracule (relative motion) and extracule (center-of-mass motion) densities are studied in both position… 
1999
1999
Computation of Coulomb and exchange radial intracule densities
1998
1998
Electron-pair center-of-mass-motion densities of atoms in position and momentum spaces
Spherically averaged center-of-mass-motion (extracule) densities $d(R)$ in position space and $\overline{d}(P)$ in momentum space… 
1998
1998
Electron-pair relative-motion densities of atoms in position and momentum spaces
Spherically averaged electron-pair relative-motion (intracule) densities $h(u)$ in position space and $\overline{h}(v)$ in… 
1992
1992
Study of some interelectronic properties in helium-like atoms
By means of the optimumM-term Hylleraastype wavefunctions with 1≦M≦6 we study various interelectronic properties of the Helium… 
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