Explicitly correlated Gaussian functions in variational calculatiions. Microhartree accuracy of the helium dimer energy

Chemical Physics Letters

Volumn 249, Issue 3-4, 1996, Pages 253-256

  Komasa, Jacek ^a   Rychlewski, Jacek ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030562117     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(95)01392-X     Document Type: Article

References (30)

1. The Integral Formulae for the Variational Solution of the Molecular Many-Electron Wave Equations in Terms of Gaussian Functions with Direct Electronic Correlation
2. The Use of Gaussian (Exponential Quadratic) Wave Functions in Molecular Problems. I. General Formulae for the Evaluation of Integrals
3. Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen Molecule
4. Accurate multipole moments for H2and D2including the effects of electron correlation and molecular vibration and rotation
5. Explicitly correlated Gaussian functions in variational calculations: The ground state of the beryllium atom
6. An efficient method for finding the minimum of a function of several variables without calculating derivatives
7. The atomic three-body problem. An accurate lower bond calculation using wave functions with logarithmic terms