相关论文: A regularized inverted perturbation approach metho…

The pseudopotential method is used to derive electron hole structures in a suprathermal plasma having a regularized $\kappa$ probability distribution function background. The regularized character allows the exploration of small $\kappa$…

A new approach has been used to explain the experimental data for the $^{12}$C+$^{12}$C system over a wide energy range in the laboratory system from 32.0 MeV to 126.7 MeV. This new coupled-channels based approach involves replacing the…

We propose two new approaches for regulating spin polarization and spin inversion in a conducting junction within a tight-binding framework based on wave-guide theory. The system comprises a magnetic quantum ring with finite modulation in…

A technique to reconstruct one-dimensional, reflectionless potentials and the associated quantum wave functions starting from a finite number of known energy spectra is discussed. The method is demonstrated using spectra that scale like the…

A potential energy curve (PEC) accurate to a fraction of 1 ppm ($1:10^6$) is computed for the $^3\Sigma_\mathrm{u}^+$ state of He$_2$ endowed with relativistic and QED corrections. The nuclear Schr\"odinger equation is solved on this PEC…

The laser technique of polarisation labelling of levels has been used to study the excited 1$^1\Sigma^{+}_{\mathrm{u}}$ state of $^{88}$Sr$_2$, in most part heavily perturbed by the neighbouring electronic states. By observation of…

In this paper we the formulation of inverse problems as constrained minimization problems and their iterative solution by gradient or Newton type. We carry out a convergence analysis in the sense of regularization methods and discuss…

This work presents a perturbative calculation methodology for evaluating the energy shifts and broadening of vibrational energy levels, caused by interactions between bound and unbound dissociative electronic states. The method is validated…

We introduce a new method to construct, within inverse-scattering theory, an energy-independent separable potential capable of reproducing exactly both phase shift and absorption over a predefined energy range. The approach relies on the…

Some quantum mechanical potentials, singular at short distances, lead to ultraviolet divergences when used in perturbation theory. Exactly as in quantum field theories, but much simpler, regularization and renormalization lead to finite…

We observe multiple stable states of nuclear polarization in a double quantum dot under conditions of electron spin resonance. The stable states can be understood within an elaborated theoretical rate equation model for the polarization in…

The potential energy curves of P2 and P2+ have been calculated using an approximate, albeit strictly N-representable, energy functional of the one-particle reduced density matrix: PNOF5. Quite satisfactory accord is found for the…

Multiple energy minima of the LDA+U energy functional are obtained for $\gamma$-Ce when it is implemented in a full potential, rotationally invariant scheme including spin-orbit coupling, and different starting local configurations are…

We tabulate angularly reduced fourth-order many-body corrections to matrix elements for univalent atoms, derived in [A. Derevianko and E.D. Emmons, Phys. Rev. A 65, 052115 (2002)]. In particular we focused on practically important diagrams…

Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to non-active orbitals. Here, we propose a computational method…

The equivalence of the covariant renormalization and the partial-wave renormaliz ation (PWR) approach is proven explicitly for the one-loop self-energy correction (SE) of a bound electron state in the presence of external perturbation…

In this study, we investigate the structure of the polar alkali-Strontium diatomic molecules as possible candidates for the realization of samples of new species of ultracold polar molecules. Using a quantum chemistry approach based on…

Polyatomic molecular ions contain many desirable attributes of a useful quantum system, including rich internal degrees of freedom and highly controllable coupling to the environment. To date, the vast majority of state-specific…

The explicit semiclassical treatment of the logarithmic perturbation theory for the bound-state problem of the radial Shrodinger equation with the screened Coulomb potential is developed. Based upon h-expansions and new quantization…

We study $N$-electron atoms with nuclear charge $Z$. It is well known that, in the cationic ($Z > N$) high-$Z$ region, the atom behaves as a weakly interacting system. The anionic ($Z < N$) regime, on the other hand, is characterized by an…