Raman Centre for Atomic, Molecular and Optical Sciences
Indian Association for the Cultivation of Science
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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.
Emeritus Professor, RCAMOS
|Fukui Medal of the Asia Pacific Association for Theoretical and Computational Chemists
|J. C. Bose Fellow of Department of Science & Technology, Govt. of India
|Charles Coulson memorial Lecture, Centre for Computational Chemistry, University of Georgia
|Fellow, National Academy of Sciences, Allahabad
|Honorary Professor, IISER Kolkata
|Kapuy Memorial Lecture, Eotvos University, Budapest
|Sadhan Basu Memorial Lecture Award, Indian National Science Academy
|Fellow and Founder Member, Asia Pacific Association for Theoretical and Computational Chemists
|Honorary Professor, Department of Chemistry, Beijing University
|J.C. Ghosh Medal of the Indian Chemical Society
|Silver Medal of the Chemical Research Society of India
|S. K. Mitra Gold Medal of the Indian Science Congress
|Fellow, Third World Academy of Science
|Honorary Professor, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India
|Member, Editorial Board, Journal of Science Education and Technology (Kluwer Academic/Plenum Press)
|Fellow, International Academy of Quantum Molecular Sciences
|Jagadish Shankar Memorial Award in Chemistry of the Indian National Science Academy
|Honorary Professor of the S. N. Bose National Centre for Basic Sciences
||1994 - 98
|Senior JSPS Visiting Scientist
|Visiting Professor, Université Paul Sabatier, Toulouse, France
|Fellow, Indian National Science Academy
|Member, Advisory Editorial Board, Theoretica Chimica Acta (Springer - Verlag)
||1989 - 92
|Shanti Swarup Bhatnagar Award of the Council of Scientific and Industrial Research, India
|Fellow, Indian Academy of Sciences, Bangalore
|Senior Humboldt Fellow
|Asutosh Mukherjee Medal, Calcutta University
|Members of Advisory Bodies of several learned institutions
of India, inclusing membership of the SERC, DST; and Councils of Universities
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
Quantum many-body dynamics
- 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).
Statistical field theory
- 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.
Cummulant based quantum chemistry
- 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
State-specific Multireference (Mk-MR) Methods
- 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
Relativistic coupled cluster theory
- 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.
- 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.