Relativistic well‐tempered Gaussian basis sets for helium through mercury (English)
National licence
- New search for: Okada, Satosi
- New search for: Matsuoka, Osamu
- New search for: Okada, Satosi
- New search for: Matsuoka, Osamu
In:
The Journal of Chemical Physics
;
91
, 7
;
4193-4196
;
1989
- Article (Journal) / Electronic Resource
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Title:Relativistic well‐tempered Gaussian basis sets for helium through mercury
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Additional title:Relativistic Gaussian basis sets
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Contributors:Okada, Satosi ( author ) / Matsuoka, Osamu ( author )
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Published in:The Journal of Chemical Physics ; 91, 7 ; 4193-4196
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Publisher:
- New search for: American Institute of Physics
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Publication date:1989-10-01
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Size:4 pages
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ISSN:
-
DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 91, Issue 7
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 3801
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On the apparent spectroscopic rigidity of floppy molecular systemsNesbitt, David J. / Naaman, Ron et al. | 1989
- 3810
-
On the laser‐wavelength dependence of plasmon surface polariton field‐enhanced Raman spectroscopyKnobloch, Harald / Duschl, Claus / Knoll, Wolfgang et al. | 1989
- 3815
-
Highly excited rovibrational states using a discrete variable representation: The H+3 molecular ionTennyson, Jonathan / Henderson, James R. et al. | 1989
- 3826
-
The vibrational spectra of molecular ions isolated in solid neon. II. O+4 and O−4Thompson, Warren E. / Jacox, Marilyn E. et al. | 1989
- 3838
-
Optical refractive and reflective properties of resonantly absorbing mediaAhmed, S. A. / Ali, M. A. / Mitwally, K. / El‐Massry, M. et al. | 1989
- 3846
-
Dicke narrowing of the polarized Stokes–Raman Q branch of the v=0→1 transition of D2 in HeBlackmore, Robert / Green, Sheldon / Monchick, Louis et al. | 1989
- 3854
-
Resonant two‐photon ionization‐photoelectron spectroscopy of Cu2: Autoionization dynamics and Cu+2 vibronic statesSappey, Andrew D. / Harrington, Joel E. / Weisshaar, James C. et al. | 1989
- 3869
-
Pressure tuning of Fermi resonance in crystal CO2Cardini, Gianni / Remigio Salvi, Pier / Schettino, Vincenzo / Jodl, Hans J. et al. | 1989
- 3877
-
Pressure dependence of zero‐field splittings in organic triplets. I. AromaticsChan, I. Y. / Qian, X. Q. et al. | 1989
- 3884
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Vibrational assignments and intensity considerations of the fluorescence excitation spectra of jet‐cooled S1 trans‐stilbene and its three isotopic analoguesUrano, Taeko / Hamaguchi, Hiro‐o / Tasumi, Mitsuo / Yamanouchi, Kaoru / Tsuchiya, Soji / Gustafson, Terry L. et al. | 1989
- 3895
-
Torsional damping and solvent friction in liquid n‐butane: Experimental estimates from Raman spectroscopyMacPhail, Richard A. / Snyder, Robert G. et al. | 1989
- 3903
-
Bath‐induced vibronic coherence transfer effects on femtosecond time‐resolved resonant light scattering spectra from moleculesOhtsuki, Y. / Fujimura, Y. et al. | 1989
- 3916
-
Jet‐resolved vibronic structure in the higher excited states of N2O: Ultraviolet three‐photon absorption spectroscopy from 80 000 to 90 000 cm−1Patsilinakou, E. / Wiedmann, R. T. / Fotakis, C. / Grant, E. R. et al. | 1989
- 3926
-
High orbital angular momentum states in H2 and D2. II. The 6h–5g and 6g–5f transitionsJungen, Ch. / Dabrowski, I. / Herzberg, G. / Kendall, D. J. W. et al. | 1989
- 3934
-
Statistical fluctuations of decay ratesZimmermann, Th. / Ko¨ppel, H. / Cederbaum, L. S. et al. | 1989
- 3948
-
Observation of collisionally transferred spikes in NH3 by infrared–infrared double resonanceMatsuo, Yukari / Lee, Sang K. / Schwendeman, R. H. et al. | 1989
- 3966
-
Observation of collisionally transferred spikes in 13CH3F by infrared–infrared double resonanceMatsuo, Yukari / Schwendeman, R. H. et al. | 1989
- 3976
-
High resolution spectroscopic detection of acetylene–vinylidene isomerization by spectral cross correlationChen, Yongqin / Jonas, David M. / Kinsey, J. L. / Field, R. W. et al. | 1989
- 3988
-
Energy‐dependent vibrational frame transformation for electron–molecule scattering with simplified modelsGao, Hong / Greene, Chris H. et al. | 1989
- 3999
-
Unstable periodic orbits, recurrences, and diffuse vibrational structures in the photodissociation of water near 128 nmWeide, Klaus / Ku¨hl, Klaus / Schinke, Reinhard et al. | 1989
- 4009
-
Bimodal kinetic energy release in the unimolecular dissociation of energy‐selected formic acid ionNishimura, Toshihide / Meisels, G. G. / Niwa, Yoshio et al. | 1989
- 4019
-
Ar+3 photodissociation and its mechanismsChen, Z. Y. / Albertoni, C. R. / Hasegawa, M. / Kuhn, R. / Castleman, A. W. et al. | 1989
- 4026
-
A semiclassical tunneling model for use in classical trajectory simulationsMakri, Nancy / Miller, William H. et al. | 1989
- 4037
-
An absolute proton affinity scale in the ∼130–140 kcal mol−1 rangeAdams, N. G. / Smith, D. / Tichy, M. / Javahery, G. / Twiddy, N. D. / Ferguson, E. E. et al. | 1989
- 4043
-
Statistical‐mechanical theory of many‐body effects in reaction ratesTokuyama, Michio / Ross, John et al. | 1989
- 4061
-
A theoretical study of multidimensional nuclear tunneling in malonaldehydeShida, Norihiro / Barbara, Paul F. / Almlo¨f, Jan E. et al. | 1989
- 4073
-
Theory of activated rate processes for arbitrary frequency dependent friction: Solution of the turnover problemPollak, Eli / Grabert, Hermann / Ha¨nggi, Peter et al. | 1989
- 4088
-
Evaluation of the rate constant for the reaction OH+H2CO: Application of modeling and sensitivity analysis techniques for determination of the product branching ratioYetter, Richard A. / Rabitz, Herschel / Dryer, Frederick L. / Maki, Robert G. / Klemm, R. Bruce et al. | 1989
- 4098
-
Solvent influence on the magnetic field effect of polymethylene‐linked photogenerated radical ion pairsBusmann, Hans‐Gerd / Staerk, Hubert / Weller, Albert et al. | 1989
- 4106
-
Direct determination of scattering time delays using the R‐matrix propagation methodWalker, Robert B. / Hayes, Edward F. et al. | 1989
- 4111
-
The Hamiltonian formulation of configurationally constrained bimolecular kinetics: A test against simulationsCotes, N. J. / Sceats, Mark G. et al. | 1989
- 4118
-
Dissociation of cyclohexene and 1,4‐cyclohexadiene in a molecular beamZhao, Xinsheng / Continetti, Robert E. / Yokoyama, Atsushi / Hintsa, Eric J. / Lee, Yuan T. et al. | 1989
- 4128
-
Cage effect for the abstraction of H from H2O in Ar matricesSchriever, R. / Chergui, M. / Kunz, H. / Stepanenko, V. / Schwentner, N. et al. | 1989
- 4134
-
The vibrational relaxation of highly excited Freon‐22 moleculesTosa, Valer / Labuda, Serghei / Bruzzese, Riccardo / de Lisio, Corrado / Solimeno, Salvatore et al. | 1989
- 4142
-
Mercury 6 3PJ relaxation and intramultiplet mixing under collisions with H2, HD, D2, and HeBras, N. / El Afghani, A. / Butaux, J. / Jeannet, J. C. / Perrin, D. et al. | 1989
- 4148
-
Thermal electron attachment to carbon suboxideShimamori, Hiroshi / Suzuki, Etsuhito / Hatano, Yoshihiko / Nonaka, Hidehiko / Ohshima, Yasuhiro / Kondow, Tamotsu / Kuchitsu, Kozo et al. | 1989
- 4155
-
Extracting laws of decay in the femto–picosecond range from autocorrelation functionsRemacle, F. / Desouter‐Lecomte, M. / Lorquet, J. C. et al. | 1989
- 4169
-
A three‐dimensional quantum mechanical study of vibrationally resolved charge transfer processes in H++H2 at Ecm=20 eVBaer, Michael / Niedner‐Schatteburg, Gereon / Toennies, J. Peter et al. | 1989
- 4183
-
Structure and bonding in the B2H5 radical and cationRusˇcˇic´, B. / Schwarz, M. / Berkowitz, J. et al. | 1989
- 4189
-
Theoretical study of the ionization of B2H5Curtiss, Larry A. / Pople, John A. et al. | 1989
- 4193
-
Relativistic well‐tempered Gaussian basis sets for helium through mercuryOkada, Satosi / Matsuoka, Osamu et al. | 1989
- 4197
-
On the coupled‐channel calculation of bound states for trimeric systems using hyperspherical coordinatesHutson, Jeremy M. / Jain, S. et al. | 1989
- 4204
-
Molecular integrals with Slater basis. I. General approachFerna´ndez Rico, J. / Lo´pez, R. / Rami´rez, G. et al. | 1989
- 4213
-
Molecular integrals with Slater basis. II. Fast computational algorithmsFerna´ndez Rico, J. / Lo´pez, R. / Rami´rez, G. et al. | 1989
- 4223
-
Application of projection techniques to the electron correlation problemBecker, Klaus W. / Fulde, Peter et al. | 1989
- 4229
-
Ab initio configuration interaction study of the electronic and geometric structure of small, mixed neutral and cationic MgNak and MgLik (k=2–8) clustersFantucci, P. / Bonacˇic´‐Koutecky´, V. / Pewestorf, W. / Koutecky´, J. et al. | 1989
- 4242
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Cumulant methods and short time propagatorsCoalson, Rob D. / Freeman, David L. / Doll, J. D. et al. | 1989
- 4249
-
Variational Monte Carlo method in the connected moments expansion: H, H−, Be, and Li2Yoshida, Takashi / Iguchi, Kaoru et al. | 1989
- 4254
-
Solution of reference interaction site model for mixtures of short‐chain polyatomic moleculesWu, Rong‐Song / Lee, Lloyd L. / Harwell, Jeffrey H. et al. | 1989
- 4265
-
Attenuated total reflectance infrared spectra of strongly absorbing anisotropic crystals: Orthorhombic Na2[Fe(CN)5NO]⋅2H2OGu¨ida, J. A. / Piro, Oscar E. / Castellano, E. E. / Aymonino, P. J. et al. | 1989
- 4273
-
Azeotropic states in the CO2–C2H6 mixture from the hard sphere Lennard‐Jones quadrupolar molecular modelScalise, O. H. / Gianotti, R. D. / Zarragoicoechea, G. J. / Rodri´guez, A. E. et al. | 1989
- 4278
-
Bond‐orientational order in molten salt: Molecular dynamic simulationCheng, Zhaonian / Lou, Xuecai / Ma, Jianpeng / Shao, Jun / Chen, Nianyi et al. | 1989
- 4285
-
Noise‐induced transitions in an excitable systemL’Heureux, Ivan / Kapral, Raymond / Bar‐Eli, Kedma et al. | 1989
- 4299
-
X‐ray diffraction study of liquid n‐butane at 140 and 267 KHabenschuss, A. / Narten, A. H. et al. | 1989
- 4307
-
Molecular dynamics for discontinuous potential. IV. Lennard‐JonesiumChapela, Gustavo A. / Scriven, L. E. / Davis, H. T. et al. | 1989
- 4314
-
Analysis of experimental nucleation data for silver and SiO using scaled nucleation theoryHale, Barbara N. / Kemper, Paul / Nuth, Joseph A. et al. | 1989
- 4318
-
Calculations of 1 eV–3 keV oxygen scattering from Ag(111) using ab initio pair potentialsvan den Hoek, P. J. / Kleyn, A. W. et al. | 1989
- 4330
-
Kinetics of the thermal desorption of indium from GaAs(100)McCaulley, J. A. / Donnelly, V. M. et al. | 1989
- 4338
-
The bonding of acetonitrile and CH2CN on Ag(110) determined by near edge x‐ray absorption fine structure: Evidence for π‐donor bonding and azimuthal orderingStevens, P. A. / Madix, R. J. / Sto¨hr, J. et al. | 1989
- 4346
-
Computer simulations of monolayer and bilayer nitrogen films at low temperatureBhethanabotla, Venkat R. / Steele, W. A. et al. | 1989
- 4353
-
On the direct energy transfer from donors to acceptors in chainlike polymer systemsRoy, A. K. / Blumen, A. et al. | 1989
- 4360
-
Quasielastic light scattering studies of swollen and stretched polymer gelsTakebe, Tomoaki / Nawa, Kazunari / Suehiro, Shoji / Hashimoto, Takeji et al. | 1989
- 4369
-
Shear‐induced homogenization of semidilute solution of polymer mixture and unmixing after cessation of the shearTakebe, Tomoaki / Sawaoka, Ryuji / Hashimoto, Takeji et al. | 1989
- 4380
-
Computer simulations studies of the catalytic oxidation of carbon monoxide on platinum metalsKaukonen, H.‐P. / Nieminen, R. M. et al. | 1989
- 4387
-
Leading concentration correction to polymer dynamic self‐structure factorPerico, Angelo / La Ferla, Roberto / Freed, Karl F. et al. | 1989
- 4401
-
Surface exclusion effects in adsorption processesSchaaf, P. / Talbot, J. et al. | 1989
- 4410
-
Is there an absence of threefold symmetry at the equilibrium geometry of the ground electronic state for NO3?Davy, Randall D. / Schaefer, Henry F. et al. | 1989
- 4411
-
Post‐attachment interactions in K(nd)–CF3I collisions at intermediate nKalamarides, A. / Walter, C. W. / Lindsay, B. G. / Smith, K. A. / Dunning, F. B. et al. | 1989
- 4413
-
Femtosecond studies of electron photodetachment of simple ions in liquid water: Solvation and geminate recombination dynamicsLong, Frederick H. / Lu, Hong / Eisenthal, Kenneth B. et al. | 1989
- 4415
-
Deuterium nuclear fusion at room temperature: A pertinent inequality on barrier penetrationRosen, Gerald et al. | 1989
- 4416
-
An exact trajectory surface hopping procedure: Comparison with exact quantal calculationsParlant, Ge´rard / Gislason, Eric A. et al. | 1989
- 4418
-
Symmetry breaking in HCl and DCl dimers: A direct near‐infrared measurement of interconversion tunneling ratesSchuder, M. D. / Lovejoy, C. M. / Nelson, D. D. / Nesbitt, D. J. et al. | 1989
- 4420
-
Phase transition behavior observed in small silicon cluster ionsBeck, S. M. / Andrews, J. M. et al. | 1989
- 4421
-
Molecular order at the surface of an organic monolayer studied by low energy helium diffractionChidsey, Christopher E. D. / Liu, Gang‐Yu / Rowntree, Paul / Scoles, Giacinto et al. | 1989
- 4423
-
Electronic ground state assignment for O+4| 1989
- 4425
-
Comment on ‘‘A theoretical study of the dissociation energy of BH using quadratic configuration interaction’’Martin, J. M. L. / Franc¸ois, J. P. / Gijbels, R. et al. | 1989
- 4426
-
Erratum: Vibrational excitation and quenching of N+2 in collision with He at relative energies below 1 eV [J. Chem. Phys. 88, 213 (1988)]Kriegel, M. / Richter, R. / Lindinger, W. / Barbier, L. / Ferguson, E. E. et al. | 1989