## Abstract Manyβbody perturbation calculations have been performed for the ground state of the carbon monoxide molecule at its equilibrium internuclear separation. The calculations are complete through third order within the algebraic approximation; i.e., the state functions are parameterized by e
A comparison of different many-body perturbation theory calculations of the ground state of SiS
β Scribed by Eneida G. Lima; Sylvio Canuto
- Publisher
- John Wiley and Sons
- Year
- 1988
- Tongue
- English
- Weight
- 361 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0020-7608
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The Tersoff potential and a recently developed potential function for covalent materials (phys. stat. sol. (b) 212, 9 (1999)) are used to simulate the reconstruction of Si(001) surface. We obtain a dimered Γ°2 Γ 1Γ reconstruction with an asymmetric rearrangement of atoms in deeper layers in Z-directi
A comparison is presented for the ground state of the helium atom of high order Rayleigh-Schri)dinger perturbation theories based upon a hydrogenic. a screened hydrogenic, a Hartree and a modified Hartree local zero-order hamiltonian. The hydrogenic zero-order schemes are superior tc the Hartree zer