International Journal of Quantum Chemistry: Vol 6, No 3

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International Journal of Quantum Chemistry: Volume 6, Issue 3

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Gaussian wave functions for CH₃ and NH

Comparison of several expansions in the calculation of static electric dipole π polarizability of conjugated molecules by pertubation theory. The ground and the first excited singlet states

Correction(s) for this article

Erratum

Molecular one-electron integrals over slater-type atomic orbitals and irregular solid spherical harmonics

The use of explicitly correlated, partially antisymmetric wave functions in atomic and molecular calculations

On the validity of Hamilton-Jacobi mechanics in the mean in quantum mechanics

The general scheme of using non-orthogonal radial orbitals in a complex electronic configuration of the atom

The general theory of the extended method of calulation of atomic structures

Electronic structure of long cumulene chains

The valence electron density distribution of hydrogen bonded systems in the iterative extended Hückel approach. III. The pyrrole–pyridine system ^†

Gaussian representations of charge overlap effects in intermolecular forces ^†

One-Center coulomb, two-center hybrid, and two-center coulomb integrals over STP functions ^†

The cusp condition: Constraint on the electron density matrix

Study of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energies

The spherical limit of H: A symmetry dilemma ^†

Two-electron theory of non-interacting surface and impurity states ^†

SCF perturbation theory and intermolecular interactions

PCILON. perturbative configuration interaction using localized orbitals and numerical integration. I. Numerical integration techniques for the calculation of Hamiltonian matrix elements between localized orbitals

Letters to the Editor

The long-range interaction between two hydrogen atoms

New proof of the minimum principle for excited states

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International Journal of Quantum Chemistry

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International Journal of Quantum Chemistry: Volume 6, Issue 3

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Articles

Gaussian wave functions for CH3 and NH

Comparison of several expansions in the calculation of static electric dipole π polarizability of conjugated molecules by pertubation theory. The ground and the first excited singlet states

Correction(s) for this article

Erratum

Molecular one-electron integrals over slater-type atomic orbitals and irregular solid spherical harmonics

The use of explicitly correlated, partially antisymmetric wave functions in atomic and molecular calculations

On the validity of Hamilton-Jacobi mechanics in the mean in quantum mechanics

The general scheme of using non-orthogonal radial orbitals in a complex electronic configuration of the atom

The general theory of the extended method of calulation of atomic structures

Electronic structure of long cumulene chains

The valence electron density distribution of hydrogen bonded systems in the iterative extended Hückel approach. III. The pyrrole–pyridine system†

Gaussian representations of charge overlap effects in intermolecular forces†

One-Center coulomb, two-center hybrid, and two-center coulomb integrals over STP functions†

The cusp condition: Constraint on the electron density matrix

Study of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energies

The spherical limit of H: A symmetry dilemma†

Two-electron theory of non-interacting surface and impurity states†

SCF perturbation theory and intermolecular interactions

PCILON. perturbative configuration interaction using localized orbitals and numerical integration. I. Numerical integration techniques for the calculation of Hamiltonian matrix elements between localized orbitals

Letters to the Editor

The long-range interaction between two hydrogen atoms

New proof of the minimum principle for excited states

Announcement

Announcement

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More from this journal

Gaussian wave functions for CH₃ and NH

The valence electron density distribution of hydrogen bonded systems in the iterative extended Hückel approach. III. The pyrrole–pyridine system ^†

Gaussian representations of charge overlap effects in intermolecular forces ^†

One-Center coulomb, two-center hybrid, and two-center coulomb integrals over STP functions ^†

The spherical limit of H: A symmetry dilemma ^†

Two-electron theory of non-interacting surface and impurity states ^†