Floating spherical gaussian orbital

This consideration excludes the free-electron model for example, and the Floating Spherical Gaussian Orbital approach in its simplest form. 

Double Zeta + Polarization functions Extended Hartree-Fock Electron Spectroscopy for Chemical Analysis Floating Ellipsoidal Gaussian Orbital Floating Spherical Gaussian Orbital Generalized Atomic Effective Potential Gaussian Type Orbital... 

An interesting approach for comparison with XPS experiments is a generalization of the Floating Spherical Gaussian Orbital (FSGO) technique. In this method, each electron pair is represented by a single Gaussian basis function whose exponent and position are obtained by a variational procedure or by reference... 

The last approach dealt with in this section is the Floating Spherical Gaussian Orbital (FSGO) model and related methods. The original FSGO model introduced fay Frost is very simple. It treats chemical bonds in terms of localized orbitals, in a very close correspondence with chemical concepts. Each localized orbital (inner... 

Prof Ali Pakiari The Floating Spherical Gaussian Orbital (FSGO) method... 

The floating spherical Gaussian orbital (FSGO) methodt... 

A Floating Spherical Gaussian Orbital (FSGO) model for polymers calculation of X-ray diffraction structure factors. They have evaluated electron densities and related X-ray structure factors for polyethylene. 

A floating spherical Gaussian orbital model for polymers. ... 

A diffusion quantum Monte Carlo method based on floating spherical Gaussian orbitals and Gaussian geminals Dipole moment of lithium hydride molecule. 

Ornstein-Uhlenbeck diffusion quantum Monte Carlo calculations on BH and HF with the floating spherical Gaussian orbitals and spherical Gaussian geminals. 

The FSGO (floating-spherical-Gaussian orbital) method in an ab initio computation procedure results in direct bond orbitals without base functions restricted to the atoms. When the degree of bond bending was calculated with this method, the following results were obtained ... 

FSGO (Floating Spherical Gaussian Orbitals) 302 Function 221 Functional 221... 

THE FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL (FSGO)... 

Frost derived the method of FSGO in a paper "Floating spherical Gaussian orbitals," A.A. Frost, J. Chem. Phys., 47, 3707 (1967) i.e., GTOs of variably chosen positions. Their number is truly minimal equal to the number of occupied MOs. 

Structural Considerations and Spectroscopic Properties.—The geometry of three conformations of cyclopentane, planar half chair (C2), and envelope (CJ, has been investigated by means of a floating spherical Gaussian orbital model which allows for extensive optimization of geometry. Relative to the half-chair the and planar forms were calculated to be 2.6 and 9.8 kcal mol less stable, values which are larger than found previously. 

Specifically, floating spherical Gaussian orbitals (FSGO), developed from an extension of Frost s simple electron pair model of molecular electronic structure, are used as basis functions in SCF-MO and Cl calculations. As will be described in the following section, these functions, unlike atomic basis orbitals, generally are not confined to atoms, but are allowed to occupy electron-rich regions corresponding... 

To investigate microscopic effects, the basis set used to obtain supermolecule descriptions and point charge models derived therefrom is a set of floating spherical Gaussian orbitals (FSGO), defined [4] as... 

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