|
1967 |
|
W. KOLOS (University of Warsaw,
Poland)
"for his work on small molecules studied
by means of electronic computers" |
|
|
1968 |
|
R.D.
LEVINE (Hebrew University, Jerusalem, Israel)
"pour
sa contribution a la theorie des reactions chimiques" |
|
|
1969 |
|
A.
DALGARNO (Harvard University, Massachusetts, USA)
"pour sa contribution a la theorie des forces intermoleculaires" |
|
|
1970 |
|
R.
HOFFMANN (Cornell University, New York, USA)
"pour
sa methode de calcul des fonctions d'onde moleculaires et pour
ses etudes theoriques des reactions chimiques" |
|
|
1971 |
|
E.R.
DAVIDSON (University of Washington, USA)
"for
his fundamental contribution to the theory and calculation of
properties of small molecules" |
|
|
1972 |
|
J.
JORTNER (Tel Aviv University, Israel)
"for
his work on non-radiative transitions" |
|
|
1973 |
|
K. JOHNSON (Massachusetts Institute of Technology
USA
"pour avoir mis au point des methodes de
perfectionnement pour le calcul de proprietes des grosses molecules
et des solides" |
|
|
1974 |
|
W.H.
MILLER (University of California at Berkeley, USA)
"pour ses travaux sur la theories des collisions" |
|
|
1975 |
|
L.
SALEM (University Paris-Sud, Orsay, France)
"pour
ses travaux sur les processus photochimiques et sur les mecanismes
de reactions chimiques" |
|
|
1976 |
|
J.
CIZEK (University of Waterloo, Ontario, Canada)
"for the introduction of mathematical methods of quantum
field theory into quantum chemistry" |
|
|
1977 |
|
S.D.
PEYERIMHOFF (University of Bonn, Germany)
"for
her outstanding contribution to the theoretical study of the
geometry, reactivity and spectroscopic properties of molecules
using configuration interaction" |
|
|
1978 |
|
K.
MOROKUMA (Institute of Molecular Science, Okazaki, Japan)
"for his outstanding contribution to the quantum-mechanical
study of excited states, reaction paths and intermolecular interactions" |
|
|
1980 |
|
O. GOSCINSKI (Uppsala University, Sweden)
"for his fundamental theoretical work on intermolecular
forces and on time-dependent phenomena using propagator methods"
R.E. WYATT (University of Austin, Texas, USA)
"for
his fundamental contribution to theoretical chemical dynamics" |
|
|
1981 |
|
B. SIMON (Princeton University and Caltech,
Pasadena, California, USA)
"for his fundamental
contribution to the theory of the stability of many particle
systems and for his application of the complex scaling method
to the theory of the stability of many molecular scattering
and resonance phenomena" |
|
|
1982 |
|
P.
PULAY (University of Arkansas,USA)
"for
the analytic gradient method" |
|
|
1983 |
|
J. SIMONS (Salt Lake City, Utah, USA)
"for his theoretical contribution to the understanding
of the electronic structure and behaviour of atoms and molecules,
particularly negative ions" |
|
|
1984 |
|
J.M.
ANDRE (Facultes Universitaires Notre-Dame de la Paix, Namur,
Belgium)
"for his important theoretical work
for the understanding of the properties of polymers and their
industrial applications" |
|
|
1985 |
|
P.E.M.
SIEGBAHN (University of Stockholm, Sweden)
"for
his contributions to the development of methods for large-scale
configuration interaction" |
|
|
1986 |
|
W. JORGENSEN (Purdue University,USA)
"for his work on the structure of organic liquids and
on molecular reaction in solution" |
|
|
1987 |
|
B.
JEZIORSKI (University of Warsaw, Poland)
"for
his outstanding contribution to the coupled cluster method and
to the theory of intermolecular forces" |
|
|
1988 |
|
G.S. EZRA (Cornell University, USA)
"for his incisive contribution to semi-classical quantization
and to the theory of non-rigid molecules" |
|
|
1989 |
|
D.C.
CLARY (University of Cambridge, UK)
"for
his contribution to the quantum theory of molecular collisions" |
|
|
1991 |
|
A.D.
BECKE (Queen's University, Kingston, Canada)
"for
unique advances in numerical methods in density functional theory
as applied to molecules, and for important developments in the
understanding of the exchange-correlation functional that enters
density functional theory" |
|
|
1993 |
|
E.A. CARTER (University of California at Los
Angeles, USA)
"for development of multiple time
scale Hartree-Fock molecular dynamics for surface chemical reactions" |
|
|
1994 |
|
B.A. HESS (University of Bonn, Germany)
"for development of the spin-free no-pair hamiltonian
with external field projectors and his pioneering work in its
application, opening the way for relativistic ab initio
calculations including electron correlation for molecules in
ground and excited states" |
|
|
1995 |
|
N. MAKRI (University of Illinois, USA)
"for her development of rigorous quantum mechanical
path integral methods and subsequent calculations for the spin-boson
problem, the paradigm for describing chemical reactions in condensed
phases" |
|
|
1997 |
|
J. GAUSS (University of Mainz, Germany)
"for formulating and implementing very general GIAO
based MBPT and Coupled-cluster correlation methods for the highly
accurate prediction of NMR chemical shifts in molecules"
W. YANG (Duke University, North Carolina, USA)
"for
his numerous contributions to the density functional theory
of molecular electronic structure, in particular the 'divide
and conquer' approach he originated for dealing with very large
molecules" |
|
|
1998 |
|
M. HEAD-GORDON (University of California,
Berkeley, USA)
"for his contributions to linear
scaling in quantum chemistry" |
|
|
1999 |
|
W. KLOPPER (Utrecht University, The Netherlands)
"for his contributions to explicitly correlated methodology
and applications in quantum chemistry" |
|
|
2000 |
|
D. MANOLOPOULOS (Oxford University, UK)
"for his contributions to the Quantum Theory of Molecular
Collisions and Chemical Reactions" |
|
|
2001 |
|
P. JUNGWIRTH (Heyrovsky Institute of Physical
Chemistry, Czech Republic)
"for his developments
in quantum molecular dynamics of large polyatomic systems and
applications to photochemical processes, in particular clusters" |
|
2002 |
|
G. STOCK (University of Frankfurt,
Germany)
"for his contributions to the theory of ultrafast
molecular photodynamics and its time-resolved spectroscopy,
as well as to a variety of mixed quantum-classical methods for
molecular dynamics" |
|
2003 |
|
M.
NOOIJEN (University of Waterloo, Canada)
"for his contributions to the many-body treatment
of the electronic structure of molecules, particularly his use
of double similarity transformations to generalize coupled-cluster
methods for excited states" |
|
2004 |
|
L.
GAGLIARDI (University of Palermo, Italy)
"for her innovative contributions to prediction
and understanding of new inorganic molecules using quantum chemical
methods" |
|
2005 |
|
S.
HAMMES-SCHIFFER (Pennsylvania State University, USA)
"for her development of innovative theories of electron
and proton dynamics with insightful applications to biological
processes" |
|
2006 |
|
W. LIU (Peking University, PR China)
"for his contributions to relativistic quantum chemistry,
especially the development of the Bejing Density Functional (BDF) code,
and his formulation of an exact quasirelativistic decoupling of the Dirac equation." |
|
2007 |
|
F. R. MANBY (University of Bristol, UK)
"for expanding the applicability range and improving the accuracy of
correlated molecular electronic-structure methods by a combination of
local and density-fitting techniques
" |
