Relativistic molecular theory

Hirao, K. and Ishikawa, Y. (eds) (2004) Recent Advances in Relativistic Molecular Theory, in Recent Advances in Computational Chemistry, Vol. 5, World Scientific, London. 

Physical applications An early application of relativistic molecular theory was to heavy atom collisions, and the production of supercritical fields involving highly stripped ions [234-237]. Studies have been made of parity- and time-reversal symmetry violation in diatomic molecules [74,238,239], and of parity violation in small chiral molecules [240-242]. 

Recently we have proposed more efficient relativistic molecular theory by an application of the pseudospectral (PS) approach [135]. In the PS approach [136,137], we use the mixed basis function between a grid representation in the physical space and spectral representation in the function space. 

Takahito Nakajima received his Ph.D. in chemistry in 1997 working under the direction of Hiroshi Nakatsuji at Kyoto University. He then joined the Department of Applied Chemistry at the University of Tokyo in 1999. He is an Associate Professor at the Department of Applied Chemistry, the University of Tokyo. He is also a researcher of PRESTO, Japan Science and Technology Corporation (JST). His current research interests include the developments of the relativistic molecular theory and the quantum chemical approach towards large-scale calculations. 

Kaldor E, Eliav E, Landau A (2004) In Hirao K, Ishikawa Y (eds) Recent advances in relativistic molecular theory. World Scientific, Singapore, p 283... 

Recent advances in relativistic molecular theory. World Scientific, Singapore, p 1... 

Alekseyev AB, Liebermann H-P, Buenker RJ (2004) Spin-Orbit multireference configuration interaction method and applications to systems containing heavy atoms. In IshikawaY (ed) Hirao K. Recent Advances in Relativistic Molecular Theory World Scientific, Singapore, pp 65-106... 

T. Nakajima, K. Hirao. Pseudospectral approach to relativistic molecular theory. 

A. Wolf, M. Reiher, B. A. Hess. Transgressing Theory Boundaries The Generalized Douglas-KroU Transformation. In K. Hi-rao, Y. Ishikawa, Ed., Recent Advances in Relativistic Molecular Theory, p. 137-190, Singapore, 2004. World Scientific Publishing. 

Hirao K. and Ishikawa Y. (eds.) 2004. Recent Advances in Relativistic Molecular Theory. 

K. Hirao, Y. Ishikawa (Eds), Recent advances in relativistic molecular theory. Recent advances in computational chemistry. World Scientific, London, vol. 6 (2004). 

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