相关论文: Comment to "Comment on 'Unified treatment for the …
This work presents the analytical development of one-center nonrelativistic integrals of second order for the NMR (nuclear magnetic resonance) shielding tensor. The main difficulty in the analytical and numerical treatments of these…
We reply to a comment of Van Enter, Kuelske and Maes (cond-mat/0005176) on our letter "Critical Behavior of the Randomly Spin-Diluted 2-d Ising Model - A Grand Ensemble Approach", Phys. Rev. Lett. {\bf 73}, 2268-2271 (1994).
We argue whether physics of universal approach of Severyukhin et al. [arXiv:1703.05710] is approved.
In this paper we consider the evaluation of the Araki-Sucher correction for arbitrary many-electron atomic and molecular systems. This contribution appears in the leading order quantum electrodynamics corrections to the energy of a bound…
Recent work by Elder, Ward and Zhang [Phys. Rev. B83. 165210 (2011)] has shown need for correction and modification of current implementation of the k.p method and operator ordering scheme using the interaction parameters defined under…
We present a unified analysis for a family of variational time discretization methods, including discontinuous Galerkin methods and continuous Galerkin-Petrov methods, applied to non-stiff initial value problems. Besides the…
Mixed quantum/classical theory (MQCT) for the treatment of rotationally inelastic transitions during collisions of two identical molecules, described either as indistinguishable or distinguishable partners, is reviewed. The treatment of two…
A preconditioned, multipole-accelerated, Krylov-subspace iterative algorithm for the electromagnetic scattering analysis of three dimensional (3D), arbitrary shaped dielectric structures composed of single and multi-layered dielectric…
We report on some computations with nilpotent orbits in simple Lie algebras of exceptional type within the SLA package of GAP4. Concerning reachable nilpotent orbits our computations firstly confirm the classification of such orbits in Lie…
Recently, Biswas and Milovic [Appl. Math. Comput. 208 (2009) 209-302] have found optical one-soliton solutions of a fourth order dispersive cubic-quintic nonlinear Schr\"odinger equation. In this comment, we first show there are mistakes in…
This paper is related to our previous works [1][2] on the error estimate of the averaging technique, for systems with one fast angular variable. In the cited references, a general method (of mixed analytical and numerical type) has been…
We introduce analysis of orbital parities as a concept and a tool for understanding radicals. Based on fundamental reduced one- and two-electron density matrices, our approach allows us to evaluate a total measure of radical character and…
Using the orbit method we attempt to reveal geometric and algebraic meaning of separation of variables for the integrable systems on coadjoint orbits in an $\mathfrak{sl}(3)$ loop algebra. We consider two types of generic orbits embedded…
This work deals with the functional model for a class of extensions of symmetric operators and its applications to the theory of wave scattering. In terms of Boris Pavlov's spectral form of this model, we find explicit formulae for the…
We introduce one-center method in spherical coordinates to carry out Hartree-Fock calculations. Both the radial wave function and the angular wave function are expanded by B-splines, and the radial knots and angular knots are adjusted to…
Slater-Condon rules are at the heart of any quantum chemistry method as they allow to simplify $3N$-dimensional integrals as sums of 3- or 6-dimensional integrals. In this paper, we propose an efficient implementation of those rules in…
The question raised by [Bastin and Martin 2003 J. Phys. B: At. Mol. Opt. Phys. 36, 4201] is examined and used to explain in more detail a key point of our calculations. They have sought to rebut criticisms raised by us of certain techniques…
We show that the comment [cond-mat/0408217] by Continentino on our recent paper [PRL 91, 066404 (2003), cond-mat/0212335] reaches incorrect conclusions as the comment wrongly extrapolates from results valid close to a classical phase…
We present an algorithm of finding numerical solutions of pulsar equation. The problem of finding the solutions was reduced to finding expansion coefficients of the source term of the equation in a base of orthogo- nal functions defined on…
I present a new approach for designing quantum error-correcting codes that guarantees a physically natural implementation of Clifford operations. Inspired by the scheme put forward by Gottesman, Kitaev, and Preskill for encoding a qubit in…