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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.
2018
2018
The quantum chemical physics of few-particle atoms and molecules
The many-electron Schrodinger equation for atoms and molecules still remains analytically insoluble after over 90 years of… 
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… 
2011
2011
運用 Intracule density 與 Extracule density 對原子、分子中電子－電子交互作用的理論研究
2006
2006
Improved estimators for quantum Monte Carlo calculation of spherically averaged intracule densities
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… 
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