The Effects of Doubly-excited Configurations in the P-P-P-CI Calculation
Author:
Publisher
The Chemical Society of Japan
Subject
General Chemistry
Link
https://www.jstage.jst.go.jp/article/bcsj1926/46/10/46_10_2950/_pdf
Reference13 articles.
1. Importance of Doubly Excited Configurations in Semiempirical Molecular‐Orbital Calculations
2. Configuration Interaction in Molecular‐Orbital Theory
3. On the Effects of Doubly Excited Configurations in Semi-Empirical Molecular Orbital Calculations on Non-Alternant Hydrocarbons
4. Electronic Structures of Unsaturated Molecules Containing Hetero-atoms, — Configuration Interaction Treatment Including Doubly Excited Configurations
5. Semiempirical Calculation on the Lower Electronic States of the Benzene Molecule
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1. Excited states and photochemical reactivity of fulvene. A theoretical study;The Journal of Chemical Physics;1994-12-15
2. Electronic structure and hyperpolarizability of some conjugated molecules in excited states;International Journal of Quantum Chemistry;1993-12-05
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4. The parameter dependence of calculated koopmans'defects in the framework of a model hamiltonian verified in the case of transition metal compounds;Chemical Physics;1982-06
5. Calculated Koopmans' Defects for Transition Metal Compounds in the Framework of an Effective Semiempirical Hamiltonian: Bis(π-pentadienyl)dinickel;Berichte der Bunsengesellschaft für physikalische Chemie;1982-01
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