Works matching IS 00207608 AND DT 1998 AND VI 69 AND IP 3

Results: 19

List of Participants.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 229, doi. 10.1002/(SICI)1097-461X(1998)69:3<229::AID-QUA2>3.0.CO;2-X

By:

Trickey, Sam

Publication type:

Article

Exact exchange kernel for time-dependent density-functional theory.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 265, doi. 10.1002/(SICI)1097-461X(1998)69:3<265::AID-QUA6>3.0.CO;2-T

By:

Görling, Andreas

Publication type:

Article

Mixed lead-alkali clusters in the gas phase and in liquid alloys.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 341, doi. 10.1002/(SICI)1097-461X(1998)69:3<341::AID-QUA12>3.0.CO;2-5

By:

Molina, L. M.;
López, M. J.;
Rubio, A.;
Alonso, J. A.;
Stott, M. J.

Publication type:

Article

DFT investigations of the structure and bonding between transition metals and olefins.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 387, doi. 10.1002/(SICI)1097-461X(1998)69:3<387::AID-QUA16>3.0.CO;2-#

By:

Bögel, Horst;
Tobisch, Sven;
Nowak, Thomas

Publication type:

Article

Introduction.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 227, doi. 10.1002/(SICI)1097-461X(1998)69:3<227::AID-QUA1>3.0.CO;2-X

By:

Trickey, Sam

Publication type:

Article

Theoretical determination of exact-exchange-mixing parameter employing the ionization energy theorem.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 255, doi. 10.1002/(SICI)1097-461X(1998)69:3<255::AID-QUA5>3.0.CO;2-U

By:

Krieger, J. B.;
Chen, J.;
Iafrate, G. J.

Publication type:

Article

Generalized Floquet theoretical formulation of time-dependent density functional theory for many-electron systems in multicolor laser fields.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 305, doi. 10.1002/(SICI)1097-461X(1998)69:3<305::AID-QUA9>3.0.CO;2-Z

By:

Telnov, Dmitry A.;
Chu, Shih-I

Publication type:

Article

The application of approximate density functionals to complex systems.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 327, doi. 10.1002/(SICI)1097-461X(1998)69:3<327::AID-QUA11>3.0.CO;2-#

By:

Sankey, Otto F.;
Demkov, Alexander A.;
Windl, Wolfgang;
Fritsch, Jürgen H.;
Lewis, James P.;
Fuentes-Cabrera, Miguel

Publication type:

Article

Theoretical study of transition-element carbonyls MCO and carbenes MCH<sub>2</sub> (M=Ti, Fe, Ni) in the ground and first electronic excited states by DFT methods.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 371, doi. 10.1002/(SICI)1097-461X(1998)69:3<371::AID-QUA15>3.0.CO;2-5

By:

Sosa, Ramón M.;
Gardiol, Patricia;
Beltrame, Gerardo

Publication type:

Article

A scattering theoretic approach to scalar relativistic corrections on bonding.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 423, doi. 10.1002/(SICI)1097-461X(1998)69:3<423::AID-QUA19>3.0.CO;2-2

By:

Delley, B.

Publication type:

Article

Optimized potential method for ensembles of excited states.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 247, doi. 10.1002/(SICI)1097-461X(1998)69:3<247::AID-QUA4>3.0.CO;2-V

By:

Nagy, Á.

Publication type:

Article

Time-dependent density-functional theory with optimized effective potential and self-interaction correction: Application to the study of coherent control of multiple high-order harmonic generation of He atoms in mixed laser fields.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 293, doi. 10.1002/(SICI)1097-461X(1998)69:3<293::AID-QUA8>3.0.CO;2-Q

By:

Tong, Xiao-Min;
Chu, Shih-I

Publication type:

Article

Quantum chemical molecular dynamics.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 317, doi. 10.1002/(SICI)1097-461X(1998)69:3<317::AID-QUA10>3.0.CO;2-#

By:

Dunlap, Brett I.

Publication type:

Article

Exchange-correlation corrections to lattice dynamics of simple metals, and a search for soft modes at normal and expanded volume.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 359, doi. 10.1002/(SICI)1097-461X(1998)69:3<359::AID-QUA14>3.0.CO;2-Y

By:

Pollack, L.;
Perdew, J. P.

Publication type:

Article

Toward linear scaling with fitted exchange-correlation terms in the LCGTO-DF method via a divide-and-conquer approach.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 405, doi. 10.1002/(SICI)1097-461X(1998)69:3<405::AID-QUA18>3.0.CO;2-0

By:

Goh, Sor Koon;
Gallant, Roger T.;
St-Amant, Alain

Publication type:

Article

How robust is present-day DFT?

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 241, doi. 10.1002/(SICI)1097-461X(1998)69:3<241::AID-QUA3>3.0.CO;2-V

By:

Davidson, Ernest R.

Publication type:

Article

Quantum fluid density functional theory of time-dependent processes.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 279, doi. 10.1002/(SICI)1097-461X(1998)69:3<279::AID-QUA7>3.0.CO;2-S

By:

Chattaraj, P. K.;
Sengupta, S.;
Poddar, A.

Publication type:

Article

Full-potential optical calculations of lead chalcogenides.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 349, doi. 10.1002/(SICI)1097-461X(1998)69:3<349::AID-QUA13>3.0.CO;2-Y

By:

Delin, Anna;
Ravindran, P.;
Eriksson, Olle;
Wills, J. M.

Publication type:

Article

Frozen density matrix approach for electronic structure calculations.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 3, p. 397, doi. 10.1002/(SICI)1097-461X(1998)69:3<397::AID-QUA17>3.0.CO;2-#

By:

Lee, Tai-Sung;
Yang, Weitao

Publication type:

Article