| 1 |
Assessment of conventional density functional schemes for computing the dipole moment and (hyper)polarizabilities of push-pull pi-conjugated systems
Champagne B, Perpete EA, Jacquemin D, van Gisbergen SJA, Baerends EJ, Soubra-Ghaoui C, Robins KA, Kirtman B
Journal of Physical Chemistry A, 104(20), 4755, 2000 |
| 2 |
Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains (vol 109, pg 10489, 1998)
Champagne B, Perpete EA, van Gisbergen SJA, Baerends EJ, Snijders JG, Soubra-Ghaoui C, Robins KA, Kirtman B
Journal of Chemical Physics, 110(23), 11664, 1999 |
| 3 |
Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains
Champagne B, Perpete EA, van Gisbergen SJA, Baerends EJ, Snijders JG, Soubra-Ghaoui C, Robins KA, Kirtman B
Journal of Chemical Physics, 109(23), 10489, 1998 |
| 4 |
Ab-Initio Finite Oligomer Method for Nonlinear-Optical Properties of Conjugated Polymers, Hartree-Fock Static Longitudinal Hyperpolarizability of Polyacetylene
Kirtman B, Toto JL, Robins KA, Hasan M
Journal of Chemical Physics, 102(13), 5350, 1995 |
| 5 |
Ab-Initio Polarizability Study of Polypyrrole
Toto JL, Toto TT, Demelo CP, Robins KA
Journal of Chemical Physics, 102(20), 8048, 1995 |
| 6 |
Ab-Initio Studies of the Polarizabilities of Retinal Analogs
Toto JL, Toto TT, Demelo CP, Robins KA
Journal of Chemical Physics, 101(5), 3945, 1994 |
| 7 |
Ab-Initio Study of Nitroxide, Hno-
Robins KA, Farley JW, Toto JL
Journal of Chemical Physics, 99(12), 9770, 1993 |
