Understanding the properties of electronically excited states is a challenging task that becomes increasingly important for numerous applications in chemistry, molecular physics, molecular biology, and materials science. A substantial impact is exerted by the fascinating progress in time-resolved spectroscopy, which leads to a strongly growing demand for theoretical methods to describe the characteristic features of excited states accurately. Whereas for electronic ground state problems of stable molecules the quantum chemical methodology is now so well developed that informed nonexperts can use it efficiently, the situation is entirely different concerning the investigation of excited states. This review is devoted to a specific class of approaches, usually denoted as multireference (MR) methods, the generality of which is needed for solving many spectroscopic or photodynamical problems. However, the understanding and proper application of these MR methods is often found to be difficult due to their complexity and their computational cost. The purpose of this review is to provide an overview of the most important facts about the different theoretical approaches available and to present by means of a collection of characteristic examples useful information, which can guide the reader in performing their own applications.

Aix Marseille Univ CNRS ICR Marseille France

Departamento de Química Instituto Tecnológico de Aeronáutica São José dos Campos 12228 900 São Paulo Brazil

Department of Chemistry and Biochemistry Texas Tech University Lubbock Texas 79409 United States

Department of Chemistry Loughborough University Leicestershire LE11 3TU United Kingdom

ELTE Eötvös Loránd University Laboratory of Theoretical Chemistry Pázmány Péter sétány 1 A 1117 Budapest Hungary

Institute for Soil Research University of Natural Resources and Life Sciences Vienna Peter Jordan Strasse 82 A 1190 Vienna Austria

Institute of Organic Chemistry and Biochemistry v v i The Czech Academy of Sciences Flemingovo nám 2 16610 Prague 6 Czech Republic

Institute of Theoretical Chemistry Faculty of Chemistry University of Vienna Währinger Straße 17 1090 Vienna Austria

Regional Centre of Advanced Technologies and Materials Palacký University 78371 Olomouc Czech Republic

School of Pharmaceutical Sciences and Technology Tianjin University Tianjin 300072 P R China

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