Identifying a pair of interacting chromophores by using SVD transformed CIS wave functions

Chemical Physics Letters

Volumn 443, Issue 4-6, 2007, Pages 420-425

  Mayer, I ^a  

^a CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CIS WAVE FUNCTIONS; COUPLED EXCITATIONS; VIRTUAL ORBITALS;

EXCITED STATES; MOLECULAR INTERACTIONS; MOLECULAR ORBITALS; SINGULAR VALUE DECOMPOSITION; WAVE FUNCTIONS;

CHROMOPHORES;

EID: 34447642509     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.06.074     Document Type: Article

References (10)

1. Mayer I. Chem. Phys. Lett. 437 (2007) 284
2. Moler C.B. Computer Methods for Mathematical Computations (1977), Prentice Hall, Englewood Cliffs
3. I. Mayer, Program CIS-T, Budapest 2006. May be downloaded from the the web-site .
4. Surján P.R. Chem. Phys. Lett. 439 (2007) 393
5. Zs. A. Mayer, private communication.
6. Bouman T.D., Voigt B., and Hansen Aa.E. J. Am. Chem. Soc. 101 (1979) 550
7. Hansen Aa.E., and Bouman T.D. Adv. Chem. Phys. 44 (1980) 545
8. Hansen Aa.E., and Bouman T.D. J. Math. Chem. 10 (1992) 221
9. Head-Gordon M., Graña A.M., Maurice D., and White C.A. J. Phys. Chem. 99 (1995) 14261
10. Mayer I. Simple Theorems, Proofs, and Derivations in Quantum Chemistry (2003), Kluwer Academic/Plenum Publishers, New York pp. 61-62