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Title: Exponentially correlated Gaussian functions in variational calculations. Momentum space properties of the ground state helium dimer
Authors: Komasa, Jacek
Keywords: Helium dimer
Momentum space
Momentum density distribution
Compton profile
Exponentially correlated Gaussian functions
United atom limit
Separated atoms limit
Issue Date: 1-Jul-2001
Publisher: American Institute of Physics
Citation: J. Chem. Phys. 115, 158 (2001)
Abstract: Microhartree accuracy wave functions composed of exponentially correlated Gaussians were transformed in closed form to momentum space representation and applied to compute various isotropic momentum space properties of helium dimer in the ground state. The set of properties includes electron momentum density distribution, expectation values of powers of the electronic momentum operator, and the Compton profile. Calculations were performed at many internuclear separations R including the united atom (beryllium) and the separated atoms (helium) limits.
ISSN: 1089-7690
Appears in Collections:Artykuły naukowe (WCh)

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