In Memory of Herbert W. Jones: International Journal of Quantum Chemistry: Vol 100, No 2

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International Journal of Quantum Chemistry: Volume 100, Issue 2

Special Issue:In Memory of Herbert W. Jones

In memory of Herbert W. Jones (1927–2002)

Fast and stable algorithm for analytical evaluation of two-center overlap integrals over Slater-type orbitals with integer and noninteger principal quantum numbers

Symbolic calculation in chemistry: Selected examples ^†

Are exponential-type basis sets preferable to Gaussians?^†

Overlap integrals for Dirac–Slater orbitals

Nonlocal potentials for short-range electronic correlation in atoms, molecules, and solids

Many-center Coulomb Sturmians and Shibuya–Wulfman integrals ^†

Electric field integrals for Slater-type orbitals

Efficient evaluation of the molecular auxiliary function B_n by downward recursion

On the computation of (2-2) three-center Slater-type orbital integrals of 1/r₁₂ using Fourier-transform-based analytical formulas

Density matrix force-balance equation applied to He, Be, and Ne atoms and to almost-spherical methane-like molecules

Wigner intracule for the Kellner helium-like ions

Highly accurate numerical results for three-center nuclear attraction and two-electron Coulomb and exchange integrals over Slater-type functions

Electron-impact single ionization cross sections of helium isoelectronic systems

Closed formulae for (1s|1s), Slater two-center integrals, using the three-center nuclear attraction integral program in spherical coordinates

Unified analytical treatment of two-electron multicenter integrals of central and noncentral interaction potentials over Slater orbitals

Derivation of a general formula for the Shibuya–Wulfman matrix

Choice of atomic orbitals to evaluate sensitive properties of molecules: An example of NMR chemical shifts

Accuracy of the electrostatic theorem for high-quality Slater and Gaussian basis sets

Electronic band structure evolution as a carbon sheet rolls up to a SWCNT and a SWCNT closes to a torus, by using extended SSH model

Overlap integrals with respect to quantum numbers over Slater-type orbitals via the Fourier-transform method

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International Journal of Quantum Chemistry: Volume 100, Issue 2

Special Issue:In Memory of Herbert W. Jones

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In memory of Herbert W. Jones (1927–2002)

Fast and stable algorithm for analytical evaluation of two-center overlap integrals over Slater-type orbitals with integer and noninteger principal quantum numbers

Symbolic calculation in chemistry: Selected examples†

Are exponential-type basis sets preferable to Gaussians?†

Overlap integrals for Dirac–Slater orbitals

Nonlocal potentials for short-range electronic correlation in atoms, molecules, and solids

Many-center Coulomb Sturmians and Shibuya–Wulfman integrals†

Electric field integrals for Slater-type orbitals

Efficient evaluation of the molecular auxiliary function Bn by downward recursion

On the computation of (2-2) three-center Slater-type orbital integrals of 1/r12 using Fourier-transform-based analytical formulas

Density matrix force-balance equation applied to He, Be, and Ne atoms and to almost-spherical methane-like molecules

Wigner intracule for the Kellner helium-like ions

Highly accurate numerical results for three-center nuclear attraction and two-electron Coulomb and exchange integrals over Slater-type functions

Electron-impact single ionization cross sections of helium isoelectronic systems

Closed formulae for (1s|1s), Slater two-center integrals, using the three-center nuclear attraction integral program in spherical coordinates

Unified analytical treatment of two-electron multicenter integrals of central and noncentral interaction potentials over Slater orbitals

Derivation of a general formula for the Shibuya–Wulfman matrix

Choice of atomic orbitals to evaluate sensitive properties of molecules: An example of NMR chemical shifts

Accuracy of the electrostatic theorem for high-quality Slater and Gaussian basis sets

Electronic band structure evolution as a carbon sheet rolls up to a SWCNT and a SWCNT closes to a torus, by using extended SSH model

Overlap integrals with respect to quantum numbers over Slater-type orbitals via the Fourier-transform method

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Symbolic calculation in chemistry: Selected examples ^†

Are exponential-type basis sets preferable to Gaussians?^†

Many-center Coulomb Sturmians and Shibuya–Wulfman integrals ^†

Efficient evaluation of the molecular auxiliary function B_n by downward recursion

On the computation of (2-2) three-center Slater-type orbital integrals of 1/r₁₂ using Fourier-transform-based analytical formulas