Roland Lindh
Professor at Department of Chemistry for Life Sciences; Organic Chemistry; Lindh group
- Mobile phone:
- +46 70 167 97 66
- E-mail:
- roland.lindh@kemi.uu.se
- Visiting address:
- Ångströmlaboratoriet
Lägerhyddsvägen 1
752 37 Uppsala - Postal address:
- Box 516
751 20 UPPSALA
- CV:
- Download CV
Short presentation
I have, since a young age, been fascinated by chemistry. Burning Bengal fires in the backyard of the apartment house where I lived was not very popular. A few years later, in the mid-70s, I came into contact with the first hand calculators and computers. An abandoned HP computer at my school became the subject of my and a friend's interest and care. These events molded me, so when I got the chance to join the two interests into a profession, I made sure that I didn't miss the opportunity.
Keywords
- Ab initio
- theoretical chemistry
- quantum chemistry
Biography
Find my short biography here.
Research
Our research proceeds in two directions. Firstly, we work on method development and computer implementations of models to describe the electronic wave function of molecular systems. This is especially for the so-called multi-configurational wave functions, i.e., wave functions that can describe multiple electron configurations at the same time – important for the description of chemical processes that break chemical bonds or for studying the chemistry of excited molecules. Furthermore, we are developing methods and computer algorithms to study non-adiabatic processes, chemical processes in which the electron wave function is a sum of multiple configuration states. Secondly, we examine and describe the non-adiabatic processes in molecular systems. In particular, we are interested in and are studying chemical processes within chemiluminescence and bioluminescence – processes where a chemical reaction generates a product that emits light, such as in fireflies.

Publications
Recent publications
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Part of Journal of Physical Chemistry A, p. 1924-1932, 2026
- DOI for A Graph-Based Algorithm for Computing Matrix Elements of Arbitrary Operators between Configuration State Functions
- Download full text (pdf) of A Graph-Based Algorithm for Computing Matrix Elements of Arbitrary Operators between Configuration State Functions
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Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods
Part of Journal of Chemical Theory and Computation, p. 4269-4281, 2022
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Part of Photochemistry, p. 11-42, Royal Society of Chemistry, 2015
All publications
Articles in journal
-
Part of Journal of Physical Chemistry A, p. 1924-1932, 2026
- DOI for A Graph-Based Algorithm for Computing Matrix Elements of Arbitrary Operators between Configuration State Functions
- Download full text (pdf) of A Graph-Based Algorithm for Computing Matrix Elements of Arbitrary Operators between Configuration State Functions
-
Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods
Part of Journal of Chemical Theory and Computation, p. 4269-4281, 2022
Chapters in book
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Part of Photochemistry, p. 11-42, Royal Society of Chemistry, 2015