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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
|
|
|
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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
|
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2004 |
The hardness profile as a tool to detect spurious stationary points in the potential energy surface |
Torrent Sucarrat, Miquel
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
|
|
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The hardness profile as a tool to detect spurious stationary points in the potential energy surface |
Torrent Sucarrat, Miquel
; Luis Luis, Josep Maria
; Duran i Portas, Miquel
; Solà i Puig, Miquel
|
|
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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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Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Van Duijnen, Piet th.
|
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2005 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
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1 juny 2018 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
|
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5 juny 2018 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
|
|
|
15 febrer 2020 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
|
|
|
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
|
|
|
|
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borràs, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
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On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borràs, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
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1 juny 2018 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
|
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5 juny 2018 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borràs, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
15 febrer 2020 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borràs, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
19 juliol 2016 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borràs, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
2005 |
Variational calculation of vibrational linear and nonlinear optical properties |
Torrent Sucarrat, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
|
|
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Variational calculation of vibrational linear and nonlinear optical properties |
Torrent Sucarrat, Miquel
; Luis Luis, Josep Maria
; Kirtman, Bernard
|
