Related papers: Ab initio potential energy surfaces for NH-NH with…
The photodissociation dynamics of N$_3^+$ excited from its $^3 \Sigma_{\rm g}^{-}$ ground to the first excited singlet and triplet states is investigated. Three dimensional potential energy surfaces for the $^1$A$'$, $^1$A$''$, and $^3$A$'$…
Analytical solutions of the N-dimensional Schr\"odinger equation for the newly proposed Varshni-Hulth\'en potential are obtained within the framework of Nikiforov-Uvarov method by using Greene-Aldrich approximation scheme to the centrifugal…
The one-dimensional spinless Salpeter equation has been solved for the PT-symmetric generalized Hulth\'{e}n potential. The Nikiforov-Uvarov {NU) method which is based on solving the second-order linear differential equations by reduction to…
The work presents a simple formalism which proposes an estimate of the ground state energy from a single reference function. It is based on a perturbative expansion but leads to non linear coupled equations. It can be viewed as well as a…
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
An efficient numerical quadrature is proposed for the approximate calculation of the potential energy in the context of pseudo potential electronic structure calculations with Daubechies wavelet and scaling function basis sets. Our…
We investigate the interaction of ground and excited states of a silver atom with noble gases (NG), including helium. Born-Oppenheimer potential energy curves are calculated with quantum chemistry methods and spin-orbit effects in the…
We consider the long-time dynamics of focusing energy-critical Schr\"odinger equation perturbed by the $\dot{H}^\frac{1}{2}$-critical nonlinearity and with inverse-square potential(CNLS$_a$) in dimensions $d\in\{3,4,5\}$…
We present the results of calculations defining global, three-dimensional representations of the complex-valued potential-energy surfaces of the doublet B1, doublet A1, and doublet B2 metastable states of the water anion that underlie the…
Highly accurate closed-form approximations are given for the ground state and first excited state wavefunctions and energies for a nonrelativistic particle in a one-dimensional double square well potential with a square barrier in between…
The nucleon-nucleon ($NN$) potential is the residual interaction of the strong interaction in the low-energy region and is also the fundamental input to the study of atomic nuclei. Based on the non-perturbative properties of the quantum…
We obtain the exact energy spectra and corresponding wave functions of the radial Schr\"odinger equation (RSE) for any (n,l) state in the presence of a combination of psudoharmonic, Coulomb and linear confining potential terms using an…
A general procedure based on shift operators is formulated to deal with anharmonic potentials. It is possible to extract the ground state energy analytically using our method provided certain consistency relations are satisfied. Analytic…
Approximate bound state solutions of the Dirac equation with the Hulth\'en plus a new generalized ring-shaped (RS) potential are obtained for any arbitrary -state. The energy eigenvalue equation and the corresponding two-component wave…
We present the first ab initio calculations of nuclear ground states up into the domain of heavy nuclei, spanning the range from 16-O to 132-Sn based on two- plus three-nucleon interactions derived within chiral effective field theory. We…
We study the ground state energy of a system of N fermions with two spin states in the large N limit. The particles are placed in an inhomogeneous trapping potential and interact via scaled interactions. We study a dilute limit where the…
We consider ground state energies (GSE) of multipartite $p$-spin models. Relying on partially lifted random duality theory (pl RDT) concepts we introduce an analytical mechanism that produces easy to compute lower and upper GSE bounds for…
We present an energy expression for restricted open-shell Kohn-Sham theory for N unpaired electrons and single-electron operators for all multiplets formed from up to five unpaired electrons. It is shown that it is possible to derive an…
A recently modified method to enable low-energy nuclear scattering results to be extracted from the discrete energy levels of the target-projectile clusters confined by harmonic potential traps is tested. We report encouraging results for…