The binding energy of the beryllium dimer in the ground state is calculated by an extended geminal model. Compared with a full CI calculation for the valence electrons, adding core-valence intersystem correlation terms yields an increase in the binding energy of approximately 0.28 kcahmole, while co
β¦ LIBER β¦
On the energy optimization of the AGP wavefunction. The ground state of the Be atom
β Scribed by Henry A. Kurtz; Nils Elander; Osvaldo Goscinski; Erland Sangfelt
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 327 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
On the binding energy of the ground stat
β
I. RΓΆeggen; K. Morokumi; K. Yamashita
π
Article
π
1987
π
Elsevier Science
π
English
β 525 KB
Calculations of the ground-state correla
β
Naoto Iijima; Masahro Iwai; A. Saika
π
Article
π
1983
π
Elsevier Science
π
English
β 247 KB
Local energy examination of accurate var
β
Maurice E. Schwartz
π
Article
π
1967
π
Elsevier Science
π
English
β 261 KB
In order to understand more fully some recent lower-bound computations For Gaussian expansions of the H-atom ground state, a study of the local energy for these wavefunctions has been made. It is found that the "local kinetic energy " TV/U (T = kinetic energy operator; cp = wavefunction) is quite oo
A slater-transform-preuss (STP) wavefunc
β
E. Yurtsever; D. Shillady
π
Article
π
1976
π
Elsevier Science
π
English
β 400 KB
The James wavefunction for the ground st
β
M. Jackson; R.P. McEachran; M. Cohen
π
Article
π
1971
π
Elsevier Science
π
English
β 246 KB
The James wavefunction for the ground st
β
M. Geller; O. Ludwig
π
Article
π
1971
π
Elsevier Science
π
English
β 75 KB
A recent article by Jackson, McEachran and Cohen on the James wavefunction for the ground state of Hz completely duplicates previous efforts by the present authors.