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Can I read On the binding energy of the ground state of Be2 on EtoBox?
On the binding energy of the ground state of Be2 by I. Röeggen; K. Morokumi; K. Yamashita is a Physics and Astronomy article available to read on EtoBox.
What is On the binding energy of the ground state of Be2 about?
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 core-valence intrasystem correlation reduces the binding energy by approximately 0.04 kcal/mole. With a basis set of (8s, 5p, 2d, If) contracted GTOs on each atom, the extended geminal model yields a binding energy of 2.10 kcal/mole and an equilibrium bond length of 4.73 au. ') The indices 1 and 2 refer to atom 1 and 2. ') All distances in atomic units.
Who reads On the binding energy of the ground state of Be2?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- I. Röeggen; K. Morokumi; K. Yamashita
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 1987
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)