MARC Record from marc_columbia

LEADER: 03440mam a22003374a 4500
001 3045533
005 20221019204359.0
008 000308t20002000enka b 001 0 eng
010 $a 00029021
015 $aGBA0-W6390
020 $a0471489980 (alk. paper)
035 $a(OCoLC)ocm43648641
035 $9ATL0277CU
035 $a3045533
040 $aDLC$cDLC$dUKM$dC#P$dPMC
042 $apcc
050 00 $aQD462$b.C653 2000
082 00 $a541.2/8$221
245 00 $aComputational molecular spectroscopy /$cedited by Per Jensen and Philip Bunker.
260 $aChichester ;$aNew York :$bWiley,$c[2000], ©2000.
300 $axiv, 670 pages :$billustrations ;$c25 cm
336 $atext$btxt$2rdacontent
337 $aunmediated$bn$2rdamedia
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.$0http://id.loc.gov/authorities/subjects/sh85109456
650 0 $aMolecular spectroscopy.$0http://id.loc.gov/authorities/subjects/sh85086592
650 0 $aMolecular dynamics.$0http://id.loc.gov/authorities/subjects/sh85086583
700 1 $aJensen, Per,$d1956-$0http://id.loc.gov/authorities/names/no98133034
700 1 $aBunker, Philip R.$0http://id.loc.gov/authorities/names/n78044118
852 00 $bsci$hQD462$i.C653 2000