We present a fully ab initio, nonperturbative description of the optical limiting properties of a metal-free phthalocyanine by simulating the effects of a broadband electric field of increasing intensity. The results confirm reverse saturable absorption as the leading mechanism for optical limiting phenomena in this system and reveal that a number of dipole-forbidden excitations are populated by excited-state absorption at more intense external fields. The excellent agreement with the experimental data supports our approach as a powerful tool to predict optical limiting in view of applications.

Ab Initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine / Cocchi, C; Prezzi, D; Ruini, Alice; Molinari, Elisa; Rozzi, Ca. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - ELETTRONICO. - 112:(2014), pp. 198303-198303. [10.1103/PhysRevLett.112.198303]

Ab Initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine

RUINI, Alice;MOLINARI, Elisa;
2014-01-01

Abstract

We present a fully ab initio, nonperturbative description of the optical limiting properties of a metal-free phthalocyanine by simulating the effects of a broadband electric field of increasing intensity. The results confirm reverse saturable absorption as the leading mechanism for optical limiting phenomena in this system and reveal that a number of dipole-forbidden excitations are populated by excited-state absorption at more intense external fields. The excellent agreement with the experimental data supports our approach as a powerful tool to predict optical limiting in view of applications.
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Ab Initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine / Cocchi, C; Prezzi, D; Ruini, Alice; Molinari, Elisa; Rozzi, Ca. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - ELETTRONICO. - 112:(2014), pp. 198303-198303. [10.1103/PhysRevLett.112.198303]
Cocchi, C; Prezzi, D; Ruini, Alice; Molinari, Elisa; Rozzi, Ca
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1044714
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