相关论文: Comment to "Comment on 'Unified treatment for the …

In the spirit of the Head-Gordon-Pople algorithm, we report vertical, transfer and horizontal recurrence relations for the efficient and accurate computation of four-electron integrals over Gaussian basis functions. Our recursive approach…

To improve the computational efficiencies of the real-space orbital-free density functional theory, this work develops a new single-grid solver by directly providing the closed-form solution to the inner iteration and using an improved…

We prove new unconditional results of sparsity of integral points on orbits under many maps and correspondences in arbitrary dimensions, generalizing theorems of Yasufuku(2015) and others. The main ingredients are new diophantine…

We make comments on Gaidarzhy {\it et al.}'s [{\it Phys. Rev. Lett.} 94, 030402 (2005)] letter.

For general two-electron two-centre integrals over Slater-type orbitals (STOs), the use of the Neumann expansion for the Coulomb interaction potential yields infinite series in terms of few basic functions. In many important cases the…

This paper reviews the standard algorithm for converting spacecraft state vectors to Keplerian orbital elements with a focus on its computer implementation. It analyzes the shortcomings of the scheme as described in the literature, and…

The goal of this paper is to show there is a single orbit of the c.e. sets with inclusion, $\mathcal{E}$, such that the question of membership in this orbit is $\Sigma^1_1$-complete. This result and proof have a number of nice corollaries:…

In his comment [arXiv:2209.03235], S. W. Lovesey argues that our analysis of neutron scattering experiments performed on Ce$_2$Zr$_2$O$_7$ is invalid. Lovesey argues that we have not properly accounted for the higher-order multipolar…

A program for molecular calculations with B functions is reported and its performance is analyzed. All the one- and two-center integrals, and the three-center nuclear attraction integrals are computed by direct procedures, using previously…

We present an algorithm for the rapid numerical integration of smooth, time-periodic differential equations with small nonlinearity, particularly suited to problems with small dissipation. The emphasis is on speed without compromising…

An analytical-numeric calculation method of extremely complicated integrals is presented. These integrals appear often in magnet soliton theory. The appropriate analytical continuation and a corresponding integration contour allow to reduce…

Many multi-loop calculations make use of integration by parts relations to reduce the large number of complicated Feynman integrals that arise in such calculations to a simpler basis of master integrals. Recently, Gluza, Kajda, and Kosower…

We prove formulas for the unitary SK_1 of a semiramified graded division algebra (or valued division algebra over a Henselian field) with a unitary involution. These formulas generalize earlier formulas of Yanchevskii, (and Platonov and…

A procedure is suggested for calculating electro-excitation multipoles to order $1/M^{2}_{N}$ with only the operators required in the calculations to order $1/M_{N}$. It is also shown that calculations to order $1/M^{2}_{N}$ cannot account…

In this note we comment on two recently published papers by G. Valent: The 1st is the preprint "On a Class of Integrable Systems with a quartic First Integral, arXiv:1304.5859. April 22, (2013)". We show that the two integrable Hamiltonian…

We present a quantum linear response (qLR) approach within an active-space framework for computing indirect nuclear spin-spin coupling constants, a key ingredient in NMR spectra predictions. The method employs the unitary coupled cluster…

High frequency integral equation methodologies display the capability of reproducing single-scattering returns in frequency-independent computational times and employ a Neumann series formulation to handle multiple-scattering effects. This…

This is a comment on the paper ``Electron Mass Operator in a Strong Magnetic Field and Dynamical Chiral Symmetry Breaking" by A. V. Kuznetsov and N. V. Mikheev [Phys. Rev. Lett. 89 (2002) 011601]. We show that the main conclusions of the…

The ionization by photon or electron impact of the inner (2a1) and outer (1t2) valence orbitals of the CH4 molecule is investigated theoretically. In spite of a number of approximations, including a monocentric approach and a rather simple…

Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…