The optimization of MCSCF functions by application of the generalized brillouin theorem: The LiH2 potential energy surface

Author:

Ruttink Paul J. A.,Lenthe Joop H.

Publisher

Springer Science and Business Media LLC

Subject

Chiropractics,Physical and Theoretical Chemistry

Cited by 35 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. A quadratically convergent VBSCF method;The Journal of Chemical Physics;2013-02-07

2. MCSCF and CI calculations of the dipole moment of cyclopropene;Recueil des Travaux Chimiques des Pays-Bas;2010-09-02

3. Developments in the calculation of electronic wavefunctions for molecules: MCSCF, CI, and numerical SCF for molecules;International Journal of Quantum Chemistry;2009-06-19

4. The Calculation of Potential Energy Surfaces for Excited States;Advances in Chemical Physics;2007-03-14

5. Quenching of Li ( 2 P) by H 2 : potential energy surfaces, conical intersection seam, and diabatic bases;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);1998-11-30

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