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out url icon Recercat 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
doc icon DUGiDocs 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 ; SolĂ  i Puig, Miquel
out url icon Recercat 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 ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2002 Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties Torrent Sucarrat, Miquel ; SolĂ  i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties Torrent Sucarrat, Miquel ; SolĂ  i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Van Duijnen, Piet th.
doc icon DUGiDocs 2005 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Duijnen, Petrus Theodorus van‏
out url icon Recercat 2018 June 1 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model
out url icon Recercat 2018 June 5 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Duijnen, Petrus Theodorus van‏
doc icon DUGiDocs 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
out url icon Recercat 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
out url icon Recercat On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
doc icon DUGiDocs 2016 July 19 On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
out url icon Recercat On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
out url icon Recercat 2018 June 1 On the physical origins of interaction-induced vibrational (hyper)polarizabilities
out url icon Recercat 2018 June 5 On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
doc icon DUGiDocs 2005 Variational calculation of vibrational linear and nonlinear optical properties Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Variational calculation of vibrational linear and nonlinear optical properties Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
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