NO+ + H2: Potential energy surface and bound state calculations

Multidimensional potential energy surface for H2 dissociation over Cu(111).

A six-dimensional H(2)-H(2) potential energy surface for bound state spectroscopy.

We present a six-dimensional potential energy surface for the (H(2))(2) dimer based on coupled-cluster electronic structure calculations employing large atom-centered Gaussian basis sets and a small set of midbond functions at the dimer's center of mass. The surface is intended to describe accurately the bound and quasibound states of the dimers (H(2))(2), (D(2))(2), and H(2)-D(2) that correlat...

Effective Lagrangians in bound state calculations

In order to investigate specific aspects of bound state calculations in a nonrelativistic framework, we consider the energy-levels of a massive scalar particle, which moves in an external field and interacts in addition with a massless scalar particle. The discussion includes the following topics: dimensionally regularized bound-state calculations, ultraviolet finiteness of bound-state observab...

bound state energy of delta-function potential: a new regularization scheme

in this letter we have proposed a new regularization scheme to deal with the divergent integralsoccurring in the quantum mechanical problem of calculating the bound state energy of the delta-functionpotential in two and three dimensions. based on the schwinger parameterization technique we argue thatthere are no infinities even in d dimensions. in this way we were able to compare our proposal w...

Rovibrational energy transfer in the He-C3 collision: potential energy surface and bound states.

We present a four-dimensional potential energy surface (PES) for the collision of C3 with He. Ab initio calculations were carried out at the coupled-cluster level with single and double excitations and a perturbative treatment of triple excitations, using a quadruple-zeta basis set and mid-bond functions. The global minimum of the potential energy is found to be -26.9 cm(-1) and corresponds to ...