

Contact:
Raman Centre for Atomic, Molecular and Optical Sciences
Indian Association for the Cultivation of Science
Phone: 
+(91) (33) 2473 4971 Ext 451(O)
+(91) (33) 2412 5890 (R)
+(91) (33) 2413 7830 (R) 
Fax: 
+(91) (33) 2473 2805

Email : 
pcdm [AT] iacs.res.in 
News:
Debashis Mukherjee gets the Alexander von Humbolt Research Award for his contribution to Theoretical Chemistry
Education:
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 nonperturbative many body theories. We were the first to develop
and implement a class of manybody methods for electronic structure, known as the
Multireference Coupled Cluster methods, which are now standard works in the field.
A longstanding problem of guaranteeing proper scaling of energy for many electron
wavefunctions 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 manybody 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
timedependent 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 ManyBody systems. Unlike the traditional Thermofield Dynamics formulations,
which maps a finite temperature theory to a zerotemperature 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
UrsellMeyer cluster expansion. In order to achieve this, he developed a Wicklike reduction
formula using the concept of generalized normal ordering for arbitrary reference functions.
An important spinoff 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
 Statespecific Multireference (MkMR) Methods
 Recently, we have developed a suite of statespecific manybody 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 manybody
methods which can predict with quantitative accuracy the energetics,
hyperfine interactions and transition probabilities of heavy atoms and
ions where relativistic effects are important.

