Works matching IS 00207608 AND DT 2004 AND VI 99 AND IP 4

Results: 40

List of participants.

Published in:: International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 189, doi. 10.1002/qua.20062
Publication type:: Article

Obituary: Jacek Rychlewski (1947–2003).

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 187, doi. 10.1002/qua.20061

By:

Chalasinski, Grzegorz;
Jeziorski, Bogumil;
Komasa, Jacek;
Konarski, Jerzy

Publication type:

Article

Obituary: Yves G. Smeyers (1931–2003).

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 185, doi. 10.1002/qua.20060

By:

Delgado–Barrio, Gerardo

Publication type:

Article

Obituary: Ilya Prigogine (1917–2003).

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 183, doi. 10.1002/qua.20059

By:

Maruani, Jean

Publication type:

Article

Dedication.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 181, doi. 10.1002/qua.20058

By:

Otto, Peter

Publication type:

Article

Preface.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 179, doi. 10.1002/qua.20057

By:

Maruani, Jean;
Lefebvre, Roland;
Brandas, Erkki

Publication type:

Article

Nuclear moments and electron density matrices in atoms.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 308, doi. 10.1002/qua.20055

By:

Pavlov, R. L.;
Raychev, P. P.;
Garistov, V. P.;
Dimitrova‐Ivanovich, M.;
Maruani, J.

Publication type:

Article

Strutinsky's shell‐correction method in the extended Kohn–Sham scheme for the investigation of binding energies of atoms and cations in the ground state.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 265, doi. 10.1002/qua.20051

By:

Delchev, Ya. I.;
Kuleff, A. I.;
Mineva, Tz.;
Zahariev, F.;
Maruani, J.

Publication type:

Article

New bound electronic states of NH+.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 353, doi. 10.1002/qua.20049

By:

Amero, José M.;
Vázquez, Gabriel J.

Publication type:

Article

Ab initio calculation of parity‐violating potential energy hypersurfaces of chiral molecules Dedicated to Hans Bürger on the occasion of his 65th birthday.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 393, doi. 10.1002/qua.20048

By:

Bakasov, Ayaz;
Berger, Robert;
Ha, Tae‐Kyu;
Quack, Martin

Publication type:

Article

Nonlinear resonant magneto‐optical effects in alkaline metal vapors in the strong bichromatic laser radiation field.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 467, doi. 10.1002/qua.20046

By:

Karagodova, T. Ya.;
Kuptsova, A. V.

Publication type:

Article

The influence of orientation and strength of external magnetic field on the time dependences of populations of atomic levels for Lamda systems.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 475, doi. 10.1002/qua.20045

By:

Karagodova, Tamara Ya.

Publication type:

Article

Conventional and unconventional techniques in quantum chemistry.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 198, doi. 10.1002/qua.20043

By:

Quiney, Harry M.;
Grant, Ian P.

Publication type:

Article

New version of the Rayleigh–Schrödinger perturbation theory: Examples.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 325, doi. 10.1002/qua.20041

By:

Kalhous, Miloš;
Skála, L.;
Zamastil, J.;
Čížek, J.

Publication type:

Article

Harmonic generation by molecules in intense laser and magnetic fields: Orientation effects.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 431, doi. 10.1002/qua.20039

By:

Bandrauk, André D.;
Lu, Huizhong

Publication type:

Article

Geometric phase effect at N‐fold electronic degeneracies in Jahn–Teller systems.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 385, doi. 10.1002/qua.20036

By:

Varandas, A. J. C.;
Xu, Z. R.

Publication type:

Article

Molecular quantum theory: Separable electronuclear wave functions and vibronic states—A generalized diabatic approach.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 373, doi. 10.1002/qua.20035

By:

Tapia, O.

Publication type:

Article

Calculations of photodissociation in intense laser fields: Validity of the adiabatic elimination of the continuum.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 452, doi. 10.1002/qua.20033

By:

Sukharev, M. E.;
Charron, E.;
Suzor‐Weiner, A.;
Fedorov, M. V.

Publication type:

Article

Extension of the molecular quantum defect orbital methodology to the calculation of intensities and lifetimes for vibronic transitions within electronic Rydberg series of NO.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 511, doi. 10.1002/qua.20031

By:

Velasco, A. M.;
Bustos, E.;
Martín, I.;
Lavín, C.

Publication type:

Article

JWKB method as an exact technique.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 336, doi. 10.1002/qua.20029

By:

Shen, Hujun;
Silverstone, Harris J.

Publication type:

Article

Momentum space properties for the atoms helium to neon from energy‐optimized explicitly correlated wave functions.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 247, doi. 10.1002/qua.20027

By:

Gálvez, F. J.;
Buendía, E.;
Sarsa, A.

Publication type:

Article

Approximate atomic calculations and stability of negative ions with a modified Thomas–Fermi–Dirac model.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 288, doi. 10.1002/qua.20026

By:

Porras, Ignacio;
Moya, Andrés

Publication type:

Article

Second quantization and Floquet quasienergies of the parabolic barrier.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 484, doi. 10.1002/qua.10868

By:

Palma, A.;
Sandoval, L.;
Martin, M.;
Lefebvre, R.

Publication type:

Article

Ground state of the beryllium atom: Reinvestigation based on a proper independent particle model.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 317, doi. 10.1002/qua.10866

By:

Barbosa, André Gustavo Horta;
Nascimento, Marco Antonio Chaer

Publication type:

Article

Quantum‐phase dynamics of molecular systems interacting with a two‐mode squeezed vacuum field: Detuning effects.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 421, doi. 10.1002/qua.10865

By:

Nakano, M.;
Yamaguchi, K.

Publication type:

Article

Theories for individual excited states.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 256, doi. 10.1002/qua.10864

By:

Nagy, Á.

Publication type:

Article

Vibronic intensities in diatomic molecules.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 522, doi. 10.1002/qua.10861

By:

Wood, D. M.;
Hochmann, P.;
Klasinc, L.;
McGlynn, S. P.

Publication type:

Article

Theoretical study of the valence and K‐shell spectra of atmospherically relevant CO2.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 502, doi. 10.1002/qua.10860

By:

Olalla, E.;
Martín, I.

Publication type:

Article

Effect of rotations on the generation of coherent internal molecular motion.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 439, doi. 10.1002/qua.10859

By:

Hervé, Stephen;
Le Quéré, Frédéric;
Marquardt, Roberto

Publication type:

Article

Exact analytic total energy functional for Hooke's atom generated by local‐scaling transformations.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 297, doi. 10.1002/qua.10858

By:

Ludeña, Eduardo V.;
Gómez, Daniel;
Karasiev, Valentin;
Nieto, Pedro

Publication type:

Article

Application of accurate MP2 energies for closed‐shell atoms in examinations of density functionals for 3d10 electron ions.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 277, doi. 10.1002/qua.10855

By:

Jankowski, K.;
Nowakowski, K.;
Słupski, R.;
Flores, J. R.

Publication type:

Article

First‐principles analysis for the optical absorption spectra of metal ions in solids.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 488, doi. 10.1002/qua.10854

By:

Ishii, Takugo;
Ogasawara, Kazuyoshi;
Adachi, Hirohiko;
Burmester, Philipp;
Huber, Günter

Publication type:

Article

Fast and accurate evaluation of three‐center, two‐electron Coulomb, hybrid, and three‐center nuclear attraction integrals over Slater‐type orbitals using the SD transformation.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 221, doi. 10.1002/qua.10853

By:

Berlu, Lilian;
Safouhi, Hassan;
Hoggan, Philip

Publication type:

Article

Macroconfigurations in molecular electronic structure theory.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 210, doi. 10.1002/qua.10852

By:

Khait, Yuriy G.;
Song, Jie;
Hoffmann, Mark R.

Publication type:

Article

Alternative techniques in open‐shell SCF theory.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 236, doi. 10.1002/qua.10851

By:

Glushkov, V. N.

Publication type:

Article

Theoretical vibrational spectra of organic ring compounds compared to experiment.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 533, doi. 10.1002/qua.10849

By:

Förner, Wolfgang

Publication type:

Article

Using simply contracted basis functions with the Lanczos algorithm to calculate vibrational spectra.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 556, doi. 10.1002/qua.10847

By:

Wang, Xiao‐Gang;
Carrington, Tucker

Publication type:

Article

Theoretical approach for simulation of femtosecond spectra: New strategies for optimal control of complex systems.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 408, doi. 10.1002/qua.10845

By:

Bonac̆ić‐Koutecký, V.;
Mitrić, R.;
Hartmann, M.;
Pittner, J.

Publication type:

Article

One‐electron pseudopotential calculations of electronic properties of NaArn: Low‐energy isomers and absorption spectra.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 495, doi. 10.1002/qua.10844

By:

El Hadj Rhouma, M. Ben;
Berriche, H.;
Lakhdar, Z. Ben;
Spiegelman, F.

Publication type:

Article

Laser‐assisted conductance of molecular wires: Two‐photon contributions.

Published in:

International Journal of Quantum Chemistry, 2004, v. 99, n. 4, p. 460, doi. 10.1002/qua.10842

By:

Urdaneta, I.;
Keller, A.;
Atabek, O.;
Mujica, V.

Publication type:

Article