Works matching IS 00207608 AND DT 1975 AND VI 9 AND IP 5

Results: 15

A density functional representation of quantum chemistry. III. Rigorous realization of the program in lattice space.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 871, doi. 10.1002/qua.560090510

By:

Schleicher, M.;
Primas, H.

Publication type:

Article

Hartree-Fock calculation of cohesive energies and equilibrium lattice constants for solid Li and Be.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 775, doi. 10.1002/qua.560090503

By:

Stoll, H.;
Preuss, H.

Publication type:

Article

Quantenchemische untersuchungen zum mechanismus der elektrophilen substitution. I. Zur potentialhyperfläche des systems benzol/h.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 923, doi. 10.1002/qua.560090514

By:

Heidrich, D.;
Grimmer, M.

Publication type:

Article

A variational principle for transition and density matrices and approximations to the equations-of-motion.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 825, doi. 10.1002/qua.560090507

By:

Dmitriev, Yuri;
Roos, Björn

Publication type:

Article

Density matrix in the open shell theory.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 761, doi. 10.1002/qua.560090502

By:

Mestechkin, M. M.;
Whyman, G. E.

Publication type:

Article

Wechselwirkungen gerichteter ladungsverteilungen. I. Irdo (intermediate retention of differential overlap)-berechnungen zum einfluß des einsamen elektronenpaars am stickstoff auf die relative acidität des β-picolins.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 917, doi. 10.1002/qua.560090513

By:

Birner, P.;
Köhler, H.-J.;
Weiss, C.

Publication type:

Article

Effect of orbiting resonance on the elastic differential cross sections.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 817, doi. 10.1002/qua.560090506

By:

Sheen, S. H.;
Skofronick, J. G.;
Mueller, C. R.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. fmi, doi. 10.1002/qua.560090501
Publication type:: Article

Application of many-body green's functions to the calculation of molecular ionization potentials.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 901, doi. 10.1002/qua.560090512

By:

Nerbrant, Per-olof

Publication type:

Article

Effect of the rotational motion of molecules on their optical and magneto-optical activity.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 797, doi. 10.1002/qua.560090505

By:

Svendsen, E. NØRby;
Hameka, Hendrik F.

Publication type:

Article

A density functional representation of quantum chemistry. II. Local quantum field theories of molecular matter in terms of the charge density operator do not work.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 855, doi. 10.1002/qua.560090509

By:

Primas, H.;
Schleicher, M.

Publication type:

Article

The electronic structure of molecules having arbitrary boundaries.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 887, doi. 10.1002/qua.560090511

By:

Scheire, L.;
Phariseau, P.

Publication type:

Article

Smooth interpolation, Fourier transformation, and two-center overlap integrals for numerical atomic orbitals.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 789, doi. 10.1002/qua.560090504

By:

Thulstrup, Poul W.

Publication type:

Article

Studies in honour of Väinö Toivo Hovi on the occasion of his sixtieth birthday. Annales Universitatis Turkuensis, Series A No. 162, 1973.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 941, doi. 10.1002/qua.560090515

By:

Calais, Jean-Louis

Publication type:

Article

Nonadiabatic core polarization and penetration correction in alkali-like atoms: Model computations on excited states of helium.

Published in:

International Journal of Quantum Chemistry, 1975, v. 9, n. 5, p. 835, doi. 10.1002/qua.560090508

By:

Young, Ralph H.;
Deal, Walter J.

Publication type:

Article