MARC Record from Miami University of Ohio

LEADER: 03175cam 22003134a 4500
001 ocm43648641
005 20010214074805.0
008 000308s2000 enka b 001 0 eng
010 $a00029021
019 $a45325346
020 $a0471489980 (alk. paper)
040 $aDLC$cDLC$dUKM$dC#P$dPMC
042 $apcc
049 $aMIAS
050 00 $aQD462$b.C653 2000
245 00 $aComputational molecular spectroscopy /$cedited by Per Jensen and Philip Bunker
260 $aChichester ;$aNew York :$bWiley,$cc2000
300 $axiv, 670 p. :$bill. ;$c25 cm
504 $aIncludes bibliographical references and index
505 0 $aThe Born-Oppenheimer approximation / Philip R. Bunker and Per Jensen -- Ab initio determination of accurate ground electronic state potential energy hypersurfaces for small molecules / Attila G. Császár ... [et al.] -- Symmetry adapted perturbation theory applied to the computation of intermolecular forces / Robert Moszynski, Paul E.S. Wormer and Ad van der Avoird -- The structure and electronic states of transition metal molecules and cluster compounds by means of DFT calculations and ZEKE spectroscopy / Attila Bérces, Marek Z. Zgierski and Dong-Sheng Yang -- Ab initio calculations of excited state potential functions / Robert J. Buenker ... [et al.] -- Relativistic effects in the calculation of electronic energies / Bernd Artur Hess and Christel Maria Marian -- The ab initio calculation of molecular properties other than the potential energy surface / Stephan P.A. Sauer and Martin J. Packer -- Perturbation theory, effective Hamiltonians and force constants / Kamil Sarka and Jean Demaison -- Variational calculations of rotation-vibration spectra / Jonathan Tennyson -- Highly excited states and local modes / Lauri Halonen -- The vibrational self-consistent field approach and extensions : method and applications to spectroscopy of large molecules and clusters / R. Benny Gerber and Joon O. Jung -- The calculation of rotation-vibration energies for molecules with large amplitude vibrations / Jan Makarewicz -- Rearrangements and tunneling splittings of small water clusters / David J. Wales -- Vibronic energies and the breakdown of the Born-Oppenheimer approximation in diatomic molecules : adiabatic and diabatic representations / David R. Yarkony -- The Renner effect / Per Jensen, Gerald Osmann and Philip R. Bunker -- The Renner-Teller effect : the effective Hamiltonian approach / John M. Brown -- Spin-orbit coupling and the Jahn-Teller effect : vibronic and spin-vibronic angular momenta / Timothy A. Barckholtz and Terry A. Miller -- Semiclassical resonance approximations and wavepacket techniques / Mark S. Child -- Forming superposition states / Tamar Seideman -- Ab initio molecular dynamics / John S. Tse and Roger Rousseau
650 0 $aQuantum chemistry
650 0 $aMolecular spectroscopy
650 0 $aMolecular dynamics
700 1 $aJensen, Per,$d1956-
700 1 $aBunker, Philip R
907 $a.b28189784$b07-14-06$c02-14-01
998 $ascl$b04-11-01$cm$da$e-$feng$genk$h0$i1
947 $aupd js
945 $g1$i35054024216646$j0$lscli $o $p$0.00$q $r $s-$t0$u3$v6$w0$x0$y.i37189517$z04-11-01