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Debashis Mukherjee gets the Alexander von Humbolt Research Award for his contribution to Theoretical Chemistry

M. Sc. in Chemistry, University of Calcutta.
Ph. D. in Theoretical Chemistry, University of Calcutta.

Position held
Emeritus Professor,  RCAMOS

Honours and Awards
Fukui Medal of the Asia Pacific Association for Theoretical and Computational Chemists 2008
J. C. Bose Fellow of Department of Science & Technology, Govt. of India 2007
Charles Coulson memorial Lecture, Centre for Computational Chemistry, University of Georgia 2007
Fellow, National Academy of Sciences, Allahabad 2006
Honorary Professor, IISER Kolkata 2006
Kapuy Memorial Lecture, Eotvos University, Budapest 2005
Sadhan Basu Memorial Lecture Award, Indian National Science Academy 2005
Fellow and Founder Member, Asia Pacific Association for Theoretical and Computational Chemists 2005
Honorary Professor, Department of Chemistry, Beijing University 2004 -
J.C. Ghosh Medal of the Indian Chemical Society 2003
Silver Medal of the Chemical Research Society of India 2002
S. K. Mitra Gold Medal of the Indian Science Congress 2001
Fellow, Third World Academy of Science 2001
Honorary Professor, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India 2001 -
Member, Editorial Board, Journal of Science Education and Technology (Kluwer Academic/Plenum Press) 2001 -
Fellow, International Academy of Quantum Molecular Sciences 1997
Jagadish Shankar Memorial Award in Chemistry of the Indian National Science Academy 1994
Honorary Professor of the S. N. Bose National Centre for Basic Sciences 1994 - 98
Senior JSPS Visiting Scientist 1992
Visiting Professor, Université Paul Sabatier, Toulouse, France 1992
Fellow, Indian National Science Academy 1991
Member, Advisory Editorial Board, Theoretica Chimica Acta (Springer - Verlag) 1989 - 92
Shanti Swarup Bhatnagar Award of the Council of Scientific and Industrial Research, India 1988
Fellow, Indian Academy of Sciences, Bangalore 1987
Senior Humboldt Fellow 1985
Asutosh Mukherjee Medal, Calcutta University 1964
Members of Advisory Bodies of several learned institutions of India, inclusing membership of the SERC, DST; and Councils of Universities  


Debashis Mukherjee, Ph. D.
SERB Distinguished Fellow

Our group focuses mainly on molecular many body theory, theoretical spectroscopy, finite temperature non-perturbative many body theories. We were the first to develop and implement a class of many-body methods for electronic structure, known as the Multireference Coupled Cluster methods, which are now standard works in the field. A long-standing problem of guaranteeing proper scaling of energy for many electron wave-functions of arbitrary complexity has also been first resolved by us.

Our research interests comprise of:

  • Molecular electronic structure and theoretical spectroscopy
    • Back in 1975, we came up with the idea of Valence Universal Cluster expansion theories for difference energies. We also developed a linear response theory based on coupled cluster formalism (CCLRT).
  • Quantum many-body dynamics
    • We have developed a general time – dependent perturbative theory which remains valid for arbitrarily large time range and is free from secular divergences. Later, it was generalized to the many – body regime and formulated the first general time-dependent coupled cluster theory for wave functions of arbitrary complexity.
  • Statistical field theory
    • We have developed a rigorous finite – temperature field theory to study Statistical Mechanics of Many-Body systems. Unlike the traditional Thermofield Dynamics formulations, which maps a finite temperature theory to a zero-temperature one, the method has the advantage of working directly with the physical variables in the finite temperature range and is thus both more natural and compact
  • Cummulant based quantum chemistry
    • We have also formulated an electron correlation theory for strongly correlated systems by starting from a combination of reference functions using a generalization of the usual Ursell-Meyer cluster expansion. In order to achieve this, he developed a Wick-like reduction formula using the concept of generalized normal ordering for arbitrary reference functions. An important spin-off from the Generalized Wick’s Theorem had been the methods of directly determining the various reduced density matrices via generalized Brillouin’s theorem and the contracted Schrödinger equations
  • State-specific Multireference (Mk-MR) Methods
    • Recently, we have developed a suite of state-specific many-body formalisms which bypass the difficulty of the notorious intruder problem for computing potential energy surfaces. These methods do not share the shortcomings of the previously used Effective Hamiltonian formalisms applied to cases warranting a multireference description.
  • Relativistic coupled cluster theory
    • We have, very recently, developed one of the most versatile many-body methods which can predict with quantitative accuracy the energetics, hyperfine interactions and transition probabilities of heavy atoms and ions where relativistic effects are important.
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Last updated on April 29, 2014