Explicitly correlated Gaussian functions in variational calculations: The ground state of the beryllium atom

Physical Review A

Volumn 52, Issue 6, 1995, Pages 4500-4507

  Komasa, Jacek ^a   Cencek, Wojciech ^a   Rychlewski, Jacek ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001206399     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevA.52.4500     Document Type: Article

References (50)

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. Energy unresolved differential cross section for electron scattering by H2
4. Accurate multipole moments for H2and D2including the effects of electron correlation and molecular vibration and rotation
5. On the use of explicitly correlated functions in variational computations for small molecules
6. Theoretical energies for the n = 1 and 2 states of the helium isoelectronic sequence up to Z = 100
7. Beryllium atom reinvestigated: A comparison between theory and experiment
8. An efficient method for finding the minimum of a function of several variables without calculating derivatives
9. Accurate electron density and one-electron properties for the beryllium atom
10. Reduced first order density matrix for the Be ground state
11. Application of explicitly correlated Gaussian functions for calculations of the ground state of the beryllium atom
12. CombinedCI-HY studies of atomic states. II. Compact wave functions for the be ground state
13. A Numerical Coupled-Cluster Procedure Applied to the Closed-Shell Atoms Be and Ne