A three-dimensional He–CO potential energy surface with improved long-range behavior

Three-dimensional potential energy surface of Ar-CO.

A three-dimensional intermolecular potential energy surface of the Ar-CO complex has been determined by fitting most of the previously reported spectroscopic data, where observed transition frequencies by microwave, millimeter-wave, submillimeter-wave, and infrared spectroscopy were reproduced simultaneously within their experimental accuracies. A free rotor model Hamiltonian considering all th...

A reliable new three-dimensional potential energy surface for H(2)-Kr.

An improved three-dimensional potential energy surface for the H(2)-Kr system is determined from a direct fit of new infrared spectroscopic data for H(2)-Kr and D(2)-Kr to a potential energy function form based on the exchange-Coulomb model for the intermolecular interaction energy. These fits require repetitive, highly accurate simulations of the observed spectra, and both the strength of the ...

Three-dimensional ab initio potential energy surface for H-CO(X̃(2)A').

We present an ab initio potential for the H-CO(X̃(2)A') complex in which the CO bond length is varied and the long-range interactions between H and CO are accurately represented. It was computed using the spin-unrestricted open-shell single and double excitation coupled cluster method with perturbative triples [RHF-UCCSD(T)]. Three doubly augmented correlation-consistent basis sets were utilized...

Computational study of three dimensional potential energy surfaces in intermolecular hydrogen bonding of cis-urocanic acid

Improved Range Estimation Model for Three-Dimensional (3D) Range Gated Reconstruction

Accuracy is an important measure of system performance and remains a challenge in 3D range gated reconstruction despite the advancement in laser and sensor technology. The weighted average model that is commonly used for range estimation is heavily influenced by the intensity variation due to various factors. Accuracy improvement in term of range estimation is therefore important to fully optim...