Works matching IS 00207608 AND DT 1991 AND VI 40 AND IP 3

Results: 16

Midgap levels of photoexcited conductive polymers. I. A simple description of the midgap levels based on molecular orbital interaction.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 305, doi. 10.1002/qua.560400304

By:

Tanaka, Kazuyoshi;
Yoshizawa, Kazunari;
Yamabe, Tokio

Publication type:

Article

Erratum: Dirac-Fock self-consistent field method for closed-shell molecules with kinetic balance and finite nuclear size.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 429, doi. 10.1002/qua.560400315

By:

Mohanty, A.;
Clementi, E.

Publication type:

Article

First-Order geometrical response equations for state-averaged multiconfigurational self-consistent field (.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 361, doi. 10.1002/qua.560400308

By:

Bak, Keld Lars;
Boatz, Jerry;
Simons, Jack

Publication type:

Article

Ab initio.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 389, doi. 10.1002/qua.560400310

By:

Chapman, Douglas A.;
Kaufman, Joyce J.;
Buenker, Robert J.

Publication type:

Article

Quantum-Chemical modeling of catecholamine storage including continuum solvent effects.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 299, doi. 10.1002/qua.560400303

By:

Góamez-Jeria, J. S.;
Parra-Mouchet, J.;
Morales-Lagos, D.

Publication type:

Article

Second-order correlation potential in the Kohn-Sham approximation for atoms.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 421, doi. 10.1002/qua.560400314

By:

Boada, R. L.;
Karasiov, V. V.;
Labzowsky, L. N.

Publication type:

Article

Normalized irreducible tensorial matrix expansions applied to an effective sp-type Hamiltonian for the PES of water.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 347, doi. 10.1002/qua.560400307

By:

Ellzey, M. L.

Publication type:

Article

On some relations to wave functions of one-dimensional Schrödinger equation.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 289, doi. 10.1002/qua.560400302

By:

Bakuradze, R. Sh.;
Stankevich, I. V.

Publication type:

Article

A

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 415, doi. 10.1002/qua.560400313

By:

Čársky, Petr;
Downing, John W.;
Michl, Josef

Publication type:

Article

Ionization potentials, electron affinities, electronegativities, and hardnesses of fractional charged atoms from the density-functional theory.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 323, doi. 10.1002/qua.560400306

By:

Guo, Yufei;
Whitehead, M. A.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. fmi, doi. 10.1002/qua.560400301
Publication type:: Article

Further investigation of the spatial generalization of Kato's theorem by a variational density-functional approach.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 409, doi. 10.1002/qua.560400312

By:

Csavinszky, P.;
Kubaska, T.

Publication type:

Article

Midgap levels of photoexcited conductive polymers. II. Detailed analysis of trans-polyacetylene.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 315, doi. 10.1002/qua.560400305

By:

Tanaka, Kazuyoshi;
Yoshizawa, Kazunari;
Takeuchi, Tomonari;
Yamabe, Tokio

Publication type:

Article

Announcement.

Published in:: International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 433, doi. 10.1002/qua.560400316
Publication type:: Article

Approximate noninteracting kinetic energy functionals from a nonuniform scaling requirement.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 379, doi. 10.1002/qua.560400309

By:

Ou-Yang, Hui;
Levy, Mel

Publication type:

Article

Calculating energy spectrum of one-dimensional quantum systems with rational potential P( X)/ Q( X).

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 3, p. 405, doi. 10.1002/qua.560400311

By:

Rivas-Silva, J. F.;
Campoy, G.;
Palma, A.

Publication type:

Article