Potential curves of the ground state and low-lying states of the scandium dimer using state-averaged MCSCF orbitals-Reference-Cited by-同舟云学术

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Potential curves of the ground state and low-lying states of the scandium dimer using state-averaged MCSCF orbitals

Published:1997-04 Issue:3-4 Volume:268 Page:213-217
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Suzuki Yoshi-ichi,Asai Shigeko,Kobayashi Katsushi,Noro Takeshi,Sasaki Fukashi,Tatewaki Hiroshi

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference10 articles.

1. The ground state of the Sc2 molecule

2. Theoretical evidence for multiple one‐electron 3d bonding in a first row transition metal dimer: The 5Σ−u state of Sc2

3. Core correlation and the binding energy of Sc2

4. Partition Function and Dissociation Energy for Sc2X5Σ−u

5. General second order MCSCF theory: A density matrix directed algorithm

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