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1 LIST OF PARTICIPANTS Adnan S S Z ; Department of Chemistry. Calcutta University Calcutta Albert I D L ; S.S.C. Unit. I.I.Sc. Bangalore Ananthapadmanabhan P; Department of Applied Chemistry. Cochin University of Science and Technology. Cochin Bandopadhyay D Depar tment of Computer Sci ence. Nor th Bengal University. Darjeeling. West Bengal. Bartlett R J; Quantum Theory Project. 362 Williamson Hall. University of Florida. Gainesville. Florida USA. Bhattacharyy B ; Department of Inorganic and Physical Chemistry. I.I.Sc. Bangalore Bishop R; Department of Mathematics. Institute of Science and Technology. University of Manchester. P.O.Box 88. Manchester M U.K. Chakravarti N ; C/O Dr. R.S. Chakravorti. XI/766 Opposite University. Cochin Chanda A Depar tment of Chemi str y. Uni ver si t y of Bur dwan. Burdwan. West Bengal. Chattaraj P; Department of Chemistry. Punjab University Chandigarh Chatterjee A ; Department of Theoretical Physics. lacs. Calcutta Chowdhury R ; Department of Physical Chemistry. lacs. Calcutta Das K S.S.C.Unit. I.I.Sc. Bangalore Das K K ; Department of Chemistry. North Bengal University. Darjeeling. West Bengal. Das T K ; Department of Physics. University of Burdwan. Burdwan. West Bengal. Dasgupta S ; Department of Spectroscopy. lacs. Calcutta Datta S N Department of Chemistry. IITCPowai). Bombay De T B ; Department of Physics. Burdwan University. Burdwan. West Bengal.
2 560 Deb B M ; Department of Chemistry. Punjab University. Chandigarh Durgaprasad M School of Chemistry. Uni versi ty of Hyderabad. Hyderabad Dutta D ; Department of Chemistry. Manipur University. Imphal. Manipur. Gadre S R ; Department of Chemistry. University of Pune. Pune Ghosh S ; Heavy Water Division. Bhaba Atomic Research Centre. Bombay Guha S ; Department of Physical Chemistry. lacs. Calcutta Koch S ; Lehrstuhl fur Theoretische Chemie. Ruhr-Universitat. Bochum. D-4630 Bochum. Germany. Kryachko E S ; Institute for Theoretical Physics. USSR Academy of Science. Kiev USSR. Kundu B ; Department of Spectroscopy. IACS.Calcutta Kusmartsev F ; L.D. Landau Institute for Theoretical Physics. USSR Academy of Sciences GSP-1 Moscow.V-334 Kosygina-2.USSR. Kutzelnigg W ; Lehrstuhl fur Theoretische Chemie. Ruhr-Universitat. Bochum. D-4630 Bochum. Germany. Majumdar A ; Ramsaday College. Amta West Bengal. Malrieu J P ; Laboratorie de Physique Quanti que. Universite Paul Sabatier Route de Narbonne Toulouse Cedex. France. Mazumdar S ; Physi cal Chemi stry Di vi si on. Nati onal Chemi cal Laboratory. Pune Medhi C ; Department of Physical Chemistry. lacs. Calcutta Mishra M K ; Department of Chemistry. IITCPowai). Bombay Moit..ra R K Department of Physics. Saha Institute of Nuclear Physics. Calcutta Mukherjee A ; Depart..ment of Chemistry. Raj College. Burdwan. West Bengal. Mukherjee D ; Department of Physical Chemistry. lacs. Calcutta
3 561 Mukhopadhyay A ; Solid State Division, Saha Institute of Nuclear Physics, Calcutta-70000Q, Mukhopadhyay D ; Department of Physical Chemistry, lacs, Calcutta Mukhopadhyay S ; B.K.C. College. Calcutta , Oddershede J Department of Chemistry,Odense University, OK 5230 Odense M. Denmark. Ohrn Y ; Quantum Theory Project. 362 Williamson Hall, University of Florida. Gainesville, Florida USA. Priyadarshi S ; Department of Chemistry. IITCPowai). Bombay Ramasesha S ; sse Unit. I. I. Sc.Bangalore Rangarajan S K ; Department of Inorganic and Physical Chemistry I.I.Sc,Bangalore , Roy S ; Department of Physics, Burdwan University. Burdwan. West Bengal. Roy S ; Department of Physics, St. Paul's College. Calcutta-70000Q, Sarma C R ; Department of Physics, IITCBombay),Bombay Sebastian K L ; Department of Applied Chemistry, Cochin University of Science and Technology. Cochin , Sen R ; Department of Chemistry, Scottish Church College, Calcutta Simons J. ; Department of Chemistry. University of Utah. Salt Lake City. Utah USA. Singh V K Department of Chemistry, B. H. U.. Vanarasi Sinha D ; Department of Physical Chemistry, lacs. Calcutta Tembe B L ; Department of Chemistry. IITCPowai).Bombay
4 SUBJECT INDEX action functional, 82, algebraic diagrammatic technique, 267, alternancy symmetry, 281,282,285, Anderson orthogonality, catastrophe, 334,335, antisymmetrized geminal powers, ,213, 214,441, average-value functional, 85, Bernal-Fowler configuration, 302, Bernal-Fowler ice rule, 301, biorthogonality, 90, bivariational self-consistent field equation, 228, Bjerrum orientational defect, 302,303, Bloch equation, 124,149,171,180,369, Bogoliubov-Valatin transformation, 262,271. Born-Oppenheimer approximation, 235,261,337, Born-Oppenheimer potential surface, 322, Born-von Karman periodicity condition, 270, Bose fluid, condensed -, 241,258, Breit interaction, 379,381,400, Brillouin theorem, generalized -, 71, Brillouin zone, 281, broken symmetry solution, 262,264, Brown-Ravenhall disease, 354, Brueckner condition, 262,268,272,.274, canonical unitary normalization, 48, catastrophe theory, , classical mean field, generalized -, 258, 'closed'operators, 12, cluster expansion, 15-29, , cluster operator, 44,168, (also see 'excitation operator') complete model space, see 'model space', complex-scaled hamiltonian, 229, complex-scaled propagator, 226, complex-scaling method, 224,235, condensate wavefunction, 241, condensed Bose fluid, 241,258, configuration state function, 70, conjugated molecules, 101, excited states of -, 104, ionized states of -, 104, connected diagram theorem, see 'linked diagram theorem', coupled cluster approach, method theory, 79,101,143,155,166,241,261, - and dynamical variational principle, , (see also 'extended coupled cluster, method') - multi-reference, , - normal, 79,80, - open-shell, applications of, , - quantum fluid dynamics, , - quasi-particles in extended systems, , - symmetry-adapted, , coupled differential eigenvalue equation, 450, covalent valence state, 101, current density, , cusp condition, 353, - relativistic and non-relativistic , density functional theory, 98, - in momentum space, , time-dependent -, 542, , density matrix, 125,528, density of states, 338, diagonal, definition of -, 45, dilated electron propagator, 225,229,230, dilated gaussian wave packet, 328, Dirac-Coulomb hamiltonian, 359,378,393,394, Dirac-Coulomb-Breit hamiltonian, 359,379, Dirac- Hartree-Fock theory, 378,393, , double self-consistency problem, 273, dynamic linear response, 96, Dyson equation, 84, effective hamiltonian, 36,50,54,96,123,148, 156,369, - formalism, 123) hermitean -, 370,376, effective interaction, 369, electric dipole moment, atomic -, 411, electron density, , ,541,542, , electron energy loss spectroscopy, 106, electron propagator, Hartree-Fock -, 190, electronic transition moment, , , energy band model, 261, energy density functional, 71, , , , equation of motion, perturbation solution of -, , - relativistic method, , excitation amplitude, 156,
5 564 excitation energy, 144,150,151,158, non-relativistc limit of -, , excitation operator, 37,85,102,130,147,155, extended coupled-cluster method, 79,241, (see also 'coupled cluster method') extensivity, see 'size-extensivity', external gauge-field, 242,246, 'external' operators, 13, f-sum rule, 255, Fock space, 35,37,43,50,54,123,152,171,263,370, Fock space operator, 36,42,125, Frank-Condon spectrum, 323,330, Frankel-Dirac variational principle, 324, Fukutome class, 277, gauge transformation, local -, 247, gaussian wave packet method, 323, Gelfand states, 39,125, , geminal, 433,434 generalized - Brillouin Theorem, 71, - classical mean field, 258, - Davidson correction, 75, - Gross-Pitaevskii theory, 248,249, - Poisson bracket, 92,245, - quasilocal order parameter, 258, - time ordering, 80, - Wick's theorem, 40, geometric approximation, 189, geometrical structure coefficient, 451,452, Ginzburg-Landau model, 465, grand catastrophe theory, , Green's function, see 'propagator' Hartree-Fock-Bogoliubov method, , Hartree-Fock electron propagator, 190, Hausdorff expansion, 325, Heisenberg antiferromagnet, 285,292, Heisenberg spin model, 298, Hellmann-Feynman theorem, 338, high-to superconductivity, 277, hole-particle formalism, 40, hopping integral, 281, Hubbard model, 284,285,288, Huckel model, 281,293,297, hyperpolarizabili ty, 297, hyperspherical coordinates, ,466, hyperspherical harmonics, ,467, hyperspherical harmonic expansion method, 452,453, , hypervirial lin expansion, 470, incomplete model space, see 'model space' information-entropy sum, , integro-differential equation method, , intermediate normalization, see 'normalization' intruder state, 51,123,144,157,166,375, ionic diagram, 290, ionization potential, 110,145,152,158,372, ising model, continuous generalization of -, 464, iterative technique of lin expansion, 476, Klein-Gordon equation, see 'large-n solution' kink defect, 310, kink soli tonic nature, 312, Kohn-Sham model, 542,544, Kohn-Sham orbital, 533, Kondo chain hamiltonian, 298, Kondo lattice model, 298, large-n expansion in critical phenomena, , large-n equant urn mechanics, , Layzer operator, 233, linear response function, see 'response function' linked-configuration excitation amplitude, 81, linked-diagram expansion, see 'linked-diagram theorem', linked-diagram theorem, 36,49,56,59,84,123,144, 150,157,370, many-body perturbation theory, non-relativistic -, 156,161, , relativistic -, , , maximum entropy principle, 534, model space, complete -,63,70,123,144,156,165,369, general -, 375, incomplete -,37,63,123,144,157,161,166,370, quasicomplete -, 64,131,157, model state cyclic vector, 243, moment expansion of propagators, 188, momentum.density, 254, , no pair approximation, 353,363,380,383,396,399, non-degenerate quasiparticle vacuum, 275, non-dilatation analyticity, 235, non-lo~/l.l density approximation, , norll,, lization, canonical unitary -, 48, intermediate -, 48,130,148,369,374, separable unitary -,48,129, Ohno parametrization, 284, one-electron density, see 'electron density' one-electron propagator, ,441, 'open' operators, 14, optical gap, , pair correction of excitation energy, 405,
6 565 pairing property, 282, Pariser-Parr-Pople hamiltonian, 284,288,292,294, parity violation, 411, particle-hole formalism, 40, perturbation theory, many-body -, see 'many-body perturbation theory' perturbed oscillator method, 468, polarization propagator, see 'response function' polarization propagator approximation, 151,213,214, potential energy surface, 141,322,339,340,345, potential harmonics, 455,456, propagator, complex-scaled -, 226, dialated electron -, 225,229,230, moment expansion of -, 188, one-electron -, ,441, polarization -, see 'response function' pole structure of -, 225, resonant pole of -, 230, Siegart boundary condition for -, 233, spectral representation of -, 225,227, pseudo-spin formulation, 471, quadratic response function, see 'reponse function', q'-1antum electrodynamic correction, , quantum electrodynamic hamiltonian, 394, quantum electrodynamic method, 394,395, quantum fluid dynamics, 549,550, quasicomplete model space, see 'model space' quasilocal order, 242,258, quasiparticle, 261. quasiparticle vacuum, 263, radiative correction of excitation energy, 406, random phase approximation, 97,151,194,201,208, , ,398,403, reaction coordinate, 340, reciprocal-n expansion, , relati vis tic, - configuration interaction, 393, - equation of mention method, , - RPA correction, 404, renormalization procedure, 266, resonant pole of propagators, 230, response function, 96,187, ,441, response theory, see 'response function' Riccati equation method, 469, Rumer-Pauling rule, 286,287, Rumer-Pauling spin function, 298, Rydberg state, 101, separability, 43, separable unitary normalization, see 'normalization' shifted expansion, 477, Siegart boundary condition, 233, size-consistency, 84,159,165, size-extensivity, 36,69,84,165, solitons, 282,313, spinor basis, , spontaneous symmetry breakdown, 276, step operator, , subsystem cluster amplitude, 81, superoperator, 172,188, supersymmetric expansion, 478, symmetry-adapted cluster operators, 62,101, symplectic structure, 258, Tafel plot, 334, Tann-Daucoff approximation, 194,201, theory of singularities, , Thomas- Fermi model, 509,513,524,535,542,544, time-reversal violation, 411, transition energy, 158, transition moment, , , travelling gaussian wave packet, 328, tree diagram, 80, unitary group formalism, 39,125,425428, , V-state, 101, valence universality, 170,171,370, variational principle, dynamic -, 82, Frenkel-Dirac -, 324, wave operator, 36,42,124,145,147,155,369, Wie-Norman form, 325, Weyl tableaux, ~, Young diagram, 39, schizophrenia of water, 301, Schriidinger-Pauli-Breit hamiltonian, 401,
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