Title :
Correlation and coherence in many-electron system
Author :
Hsu, JangYu ; Pogorelov, Eugeny ; Kao, YeeMou
Author_Institution :
Nat. Center for High Performance Comput., Hsinchu, Taiwan
Abstract :
The inclusion of the correlation effect in many electron system was shown in the self-consistent density functional theory to yield the virial theorem, an important relation between the kinetic and the potential energies. This provides a correspondence principle and an accuracy that could rule out mechanisms not begetting results within the error limit. The coherence effect of exchange antisymmetry for fermions can readily couple with the correlation effect to result in rich physics. We show from a variational quantum Monte Carlo code that in the excited states of helium atom, the triplet state of like spins tends to have less repulsive dispersion than the singlet state of opposite spins.
Keywords :
Monte Carlo methods; density functional theory; electron correlations; excited states; fermion systems; fermions; triplet state; coherence effect; correlation effect; dispersion; excited states; fermions; helium atom; kinetic energy; many-electron system; potential energy; self-consistent density functional theory; triplet state; variational quantum Monte Carlo code; virial theorem; Coherence; Density functional theory; Electrons; Helium; High performance computing; Kinetic theory; Mathematics; Physics; Potential energy; Systems engineering and theory;
Conference_Titel :
Nanotechnology, 2005. 5th IEEE Conference on
Print_ISBN :
0-7803-9199-3
DOI :
10.1109/NANO.2005.1500755