By Matthieu Sala
The primary topic of this thesis is the theoretical description of ultrafast dynamical strategies in molecular structures of chemical curiosity and their regulate via laser pulses. This paintings encompasses various state of the art equipment in quantum chemistry, quantum dynamics and for the rigorous description of the interplay of sunshine and subject on the molecular point. It presents a common quantum mechanical framework for the outline of chemical methods guided by way of laser pulses, specifically close to conical intersections, i.e. geometries the place the nuclear and digital motions couple and the molecule undergoes non-adiabatic (or non-Born-Oppenheimer) dynamics. In shut collaboration with experimentalists, the writer succeeds in creating a decisive step to hyperlink and to use quantum physics to chemistry through moving cutting-edge recommendations and ideas built in physics to chemistry, resembling “light dressed atoms and molecules” and “adiabatic Floquet theory”. He applies those options in 3 prototypic version platforms (aniline, pyrazine and NHD2) utilizing high-level digital constitution calculations. Readers will benefit from the finished and available advent to the subject and technique, in addition to the transparent constitution of the thesis.
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A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. E. P. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. E. Stratmann, O. J. Austin, R. Cammi, C. W. Y. Ayala, K. A. Voth, P. J. G. Zakrzewski, S. D. C. Strain, O. K. D. Rabuck, K. B. V. Ortiz, Q. G. Baboul, S. Clifford, J. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. L. J. Fox, T. A. Y. Peng, A. Nanayakkara, M. W. Gill, B. Johnson, W. W. Wong, C.
Clifford, J. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. L. J. Fox, T. A. Y. Peng, A. Nanayakkara, M. W. Gill, B. Johnson, W. W. Wong, C. A. Pople, Gaussian Inc, Wallingford (2004) 58. J. A. B. Schlegel, Chem. Phys. Lett. 223, 269 (1994) 59. C. B. Schlegel, J. Chem. Phys. 90, 2154 (1989) 60. C. B. Schlegel, J. Phys. Chem. 94, 5523 (1990) Chapter 3 Exploration of the Potential Energy Landscape of Aniline Using CASSCF and XMCQDPT2 Electronic Structure Calculations In this chapter, the tools introduced in Chap.
Krylov, J. Chem. Phys. V. L. M. I. V. Nemukhin, J. Chem. Theory Comput. L. V. I. V. B. I. Krylov, J. Chem. Theory Comput. L. V. V. I. Krylov, J. Phys. Chem. Lett. M. Kozlowski, T. Kamachi, M. Kumar, T. Nakayama, K. Yoshizawa, J. Phys. Chem. B 114, 5928 (2010) 40 2 Basic Concepts and Methodology 41. A. Udvarhelyi, T. Domratcheva, J. Photochem. Photobiol. A 87, 554 (2011) 42. I. L. A. P. L. Pérez, Lustres. Chem. Phys. Chem. 12, 1860 (2011) 43. V. H. Andersen, Faraday Discuss. 163, 297 (2013) 44. K.