Geometry relaxation effects in the 1 1Bu and 2 1Ag states of trans-1,3-butadiene

Chemical Physics

Volumn 130, Issue 1-3, 1989, Pages 219-228

  Szalay, P G ^a   Karpfen, A ^a   Lischka, H ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000264415     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(89)87052-1     Document Type: Article

References (30)

1. Use of configuration selection methods to study the sudden polarization effect
2. CI study of geometrical relaxation in the excited states of butadiene. Energy surfaces and properties for simultaneous torsion and elongation of one double bond
3. Implementation of an electronic structure program system on the CYBER 205
4. Classification of configurations and the determination of interacting and noninteracting spaces in configuration interaction
5. A systematic preparation of new contracted Gaussian-type orbital sets. III. Second-row atoms from Li through ne
6. The Molecular Structure of 1,3-Butadiene and 1,3,5-trans-Hexatriene.
7. Configuration interaction calculations on the planar 1(π,π∗) state of ethylene
8. N (1Ag), T (3B1u), and V (1B1u) states of vertical ethylene