Light Control using Organometallic Chromophores

The interaction between light and organometallic chromophores has been looked into theoretically in a strive for fast optical filters. The key focus is on two-photon absorption and excited state absorption as highlighted in the Jablonski diagram. We stress the need for relativistic calculations and have developed techniques to deal with this problem. In addition, we present how quantum chemical calculations can be coupled with Maxwell’s equations in order to simulate propagation of laser pulses through a materials doped with chromophores with high two-photon absorption cross sections. Lastly, we also discuss how quickly agile filters using spin-transition materials can be modeled in order to accomplish theoretical material design….


1 Introduction
1.1 Passive Protection and Jablonski Diagrams
1.2 Active Protection and Spin-transitions
1.3 Motivation
2 Molecular Electronic-structure Theory
2.1 Self-consistent Field Theory
2.1.1 Wave Function Methods
2.1.2 Density Functional Theory
2.2 Response Theory
2.3 Effective Core Potentials
3 Comments on Papers
3.1 Paper I
3.2 Paper II
3.3 Paper III
3.4 Paper IV
3.5 Paper V
4 Outlook…

Source: Linköping University

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