New Developments in Molecular Orbital Theory

Ab initio molecular orbital theory

Nonempirical Molecular Orbital Theory from Molecular Hartree-fock Theory.

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Molecular Orbital Theory of Pentacoordinate Phosphorus

The electronic structure of some idealized PH5 geometries of D3h, C4v, and C, symmetries is analyzed. Each geometry is characterized by a low-lying nodeless orbital, three singly noded orbitals close in energy, and a high-lying doubly noded nonbonding orbital. The latter orbital is the only one significantly stabilized by the inclusion of 3d orbitals in the P basis set and also determines the r...

New Developments in Quantum Field Theory

The requirement that duality and renormalization group transformations commute as motions in the space of a theory has recently been explored to extract information about the renormalization flows in different statistical and field theoretical systems. After a review of what has been accomplished in the context of 2d sigma models, new results are presented which set up the stage for a fully gen...

Some New Developments in Small Area Estimation

Small area estimation has received a lot of attention in recent years due to growing demand for reliable small area statistics. Traditional area-specific estimators may not provide adequate precision because sample sizes in small areas are seldom large enough. This makes it necessary to employ indirect estimators based on linking models. Basic area level and unit level models have been extensiv...