The first four-dimensional (4D) adiabatic potential energy surface (PES) for the interaction of NO+ cation with H2 molecule has been accurately determined using CCSD(T)-F12a method cc-pVTZ-F12 basis set augmented mid-bond functions. A detailed characterization PES and lowest bound states H2–NO+ complex have provided. exhibits a single global minimum well depth −824.63 cm−1 corresponding to off-...

The one-dimensional problem of N particles with contact interaction in the presence of a tunable transmitting and reflecting impurity is investigated along the lines of the coordinate Bethe ansatz. As a result, the system is shown to be exactly solvable by determining the eigenfunctions and the energy spectrum. The latter is given by the solutions of the Bethe ansatz equations which we establis...

Extensive calculations for the vibrational band origins of D2H þ up to dissociation are presented. Due to the high density of vibrational states near dissociation, huge basis sets needed to be used as well as massively parallel computers. We have found 1209 A1 and 1078 B1 bound states, some of which display long-range features, which are analysed in detail. The calculations were performed withi...

Calculations are discussed which characterize all the vibrational bound states of the H3 and D2H C molecular ions using a realistic ab initio potential energy surface. Graphical analysis and calculation of rotational constants show that both ions support a series of atom–diatom-like long-range states: asymptotic vibrational states. The role of these states in the H3 system and other molecules i...

New ab initio potential energy surfaces for the Π ground electronic state of the Ar–SH complex are presented, calculated at the RCCSD(T)/aug-cc-pV5Z level. Weakly bound rotation-vibration levels are calculated using coupled-channel methods that properly account for the coupling between the two electronic states. The resulting wavefunctions are analysed and a new adiabatic approximation includin...

Quantum states in the Earth’s gravitational field were observed, when ultra-cold neutrons fall under gravity. The experimental results can be described by the quantum mechanical scattering model as it is presented here. We also discuss other geometries of the experimental setup which correspond to the absence or the reversion of gravity. Since our quantum mechanical model describes, particularl...

The consequence of shifts in bound-state energies and the position of the continuum for thermodynamic quantities are examined. Two independent methods from diierent branches of physics are brought together. A simple free-energy model is used to examine the thermodynamic consequences of the results of a quantum statistical calculations of two-particle properties in a plasma using Green-function ...