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1998 |
Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities |
Bishop, David M.
; Luis Luis, Josep Maria
; Kirtman, Bernard
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|
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Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities |
Bishop, David M.
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
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2000 |
Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers |
Champagne, Benoît
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Andrés, José Luís
; Kirtman, Bernard
|
|
|
Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers |
Champagne, Benoît
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Andrés, José Luís
; Kirtman, Bernard
|
|
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Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules |
Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
2020 February 15 |
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules |
Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
2004 March 25 |
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules |
Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
2005 |
Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene |
Luis Luis, Josep Maria
; Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Bishop, David M.
; Kirtman, Bernard
|
|
|
Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene |
Luis Luis, Josep Maria
; Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Bishop, David M.
; Kirtman, Bernard
|
|
|
Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials |
Reis, Heribert C.
; Luis Luis, Josep Maria
; Garcia Borràs, Marc
; Kirtman, Bernard
|
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2014 January 14 |
Computation of nonlinear optical properties of molecules with large amplitude anharmonic motions. III. Arbitrary double-well potentials |
Reis, Heribert
; Luis Luis, Josep Maria
; Garcia Borràs, Marc
; Kirtman, Bernard
|
|
2000 |
Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Champagne, Benoît
; Kirtman, Bernard
|
|
|
Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Champagne, Benoît
; Kirtman, Bernard
|
|
|
Electronic and vibrational nonlinear optical properties of five representative electrides |
Garcia Borràs, Marc
; Solà i Puig, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
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2012 August 14 |
Electronic and vibrational nonlinear optical properties of five representative electrides |
Garcia Borràs, Marc
; Solà i Puig, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
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2001 |
Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Kirtman, Bernard
|
|
|
Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Kirtman, Bernard
|
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1999 |
Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Andrés, José Luís
; Champagne, Benoît
; Kirtman, Bernard
|
|
|
Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations |
Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Andrés, José Luís
; Champagne, Benoît
; Kirtman, Bernard
|
|
|
A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions |
Garcia Borràs, Marc
; Solà i Puig, Miquel
; Lauvergnat, David
; Reis, Heribert C.
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
2013 |
A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions |
Garcia Borràs, Marc
; Solà i Puig, Miquel
; Lauvergnat, David
; Reis, Heribert
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
2002 |
Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties |
Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
|
Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties |
Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Duran i Portas, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
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1998 |
Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6 |
Luis Luis, Josep Maria
; Martí, Josep
; Duran i Portas, Miquel
; Andrés, José Luís
; Kirtman, Bernard
|
|
|
Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6 |
Luis Luis, Josep Maria
; Martí, Josep
; Duran i Portas, Miquel
; Andrés, José Luís
; Kirtman, Bernard
|