相关论文: Comment to "Comment on 'Unified treatment for the …
Recently published formulas for the one-center integrals arising in atomic Hartree-Fock-Roothaan (HFR) calculations with noninteger n STOs (S.Gumus, T. Ozdogan, Chin. J. Chem., 22 (2004) 1262) are critically analyzed. The purpose of this…
Perturbative schemes utilizing a spectral moment expansion are well known and extensively used for investigating the physics of model Hamiltonians and real material systems. The advantages they offer, in terms of being computationally…
In any ab initio molecular orbital (MO) calculations, the major task involves the computation of the so-called molecular multi-center integrals. Multi-center integral calculations is a very challenging mathematical problem in nature.…
In this paper, we propose a new method for evaluating scalar one-loop Feynman integrals in generalized D-dimension. The calculations play an important building block for two-loop and higher-loop corrections to the processes at future…
Langlands has introduced a formula for a specific product of orbital integrals in $\mbox{GL}(2, \mathbb{Q})$. Altu\u{g} employs this formula to manipulate the regular elliptic part of the trace formula, with the aim of eliminating the…
Addition theorems have been indispensable tools for the reduction of quantum transition amplitudes. They are normally utilized at the start of the process to move the angular dependence within plane waves and Coulomb potentials, and the…
The paper is essentially a continuation of B.Plotkin, G.Zhitomirski, "Some logical invariants of algebras and logical relations between algebras", St.Peterburg Math. J., {19:5}, (2008) 859 -- 879, whose main notion is that of…
We construct an invariant J_M of integral homology spheres M with values in a completion \hat{Z[q]} of the polynomial ring Z[q] such that the evaluation at each root of unity \zeta gives the the SU(2) Witten-Reshetikhin-Turaev invariant…
The nuclear many-body problem for medium-mass systems is commonly addressed using wave-function expansion methods that build upon a second-quantized representation of many-body operators with respect to a chosen computational basis. While…
Fixed point iterations play a central role in the design and the analysis of a large number of optimization algorithms. We study a new iterative scheme in which the update is obtained by applying a composition of quasinonexpansive operators…
After a short review of various ways to calculate the Maslov index appearing in semiclassical Gutzwiller type trace formulae, we discuss a coordinate-independent and canonically invariant formulation recently proposed by A Sugita (2000,…
We point out that several terms in the third-order corrections to the slow-roll power spectra presented by Ballardini et al. [1] are incorrect. The authors of that work claim that their result differ from the ones originally presented by…
We consider integrals of products of Bessel functions and of spherical Bessel functions, combined with a Gaussian factor guaranteeing convergence at infinity. Explicit representations are obtained for the integrals, building on those in the…
The Response [J. Chem. Phys. 160, 187102 (2024)] of Inoue and coworkers to my Comment [J. Chem. Phys. 160, 187101 (2024)] on their original paper [J. Chem. Phys. 159, 054105 (2023)] clarifies some points put forward in my Comment, but also…
We present a unified approach to (bi-)orthogonal basis sets for gravitating systems. Central to our discussion is the notion of mutual gravitational energy, which gives rise to the self-energy inner product on mass densities. We consider a…
This paper formalize the existence's proof of first-integrals for any second order ODE, allowing to discriminate periodic orbits. Up to the author's knowledge, such a powerful result is not available in the literature providing a tool to…
Xiao and Qin [Computer Physics Comm., 265:107981, 2021] recently proposed a remarkably simple modification of the Boris algorithm to compute the guiding centre of the highly oscillatory motion of a charged particle with step sizes that are…
We evaluate analytically all previously unknown nonplanar master integrals for massless five-particle scattering at two loops, using the differential equations method. A canonical form of the differential equations is obtained by…
In this article, we conduct a study of integral operators defined in terms of non-convolution type kernels with singularities of various degrees. The operators that fall within our scope of research include fractional integrals, fractional…
The quantum phase estimation algorithm stands as the primary method for determining the ground state energy of a molecular electronic Hamiltonian on a quantum computer. In this context, the ability to initialize a classically tractable…