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For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

We consider Lorentzian CFT Wightman functions in momentum space. In particular, we derive a set of reference formulas for computing two- and three-point functions, restricting our attention to three-point functions where the middle operator…

High Energy Physics - Theory · Physics 2020-12-08 Nikhil Anand , Zuhair U. Khandker , Matthew T. Walters

The use of plane wave approximation in molecular orbital tomography via high-order harmonic generation has been questioned since it was proposed, owing to the fact that it ignores the essential property of the continuum wave function. To…

Atomic Physics · Physics 2015-06-18 Yang Li , Xiaosong Zhu , Pengfei Lan , Qingbin Zhang , Meiyan Qin , Peixiang Lu

Quantum phase-space distributions (Wigner functions) for the plane rotator are defined using wave functions expressed in both angle and angular momentum representations, with emphasis on the quantum superposition between the Fourier dual…

Quantum Physics · Physics 2019-02-11 Marius Grigorescu

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…

Computational Physics · Physics 2009-11-11 A. I. Neelov , S. Goedecker

In this paper, continuing the discussion about Species Quantum Mechanics, we investigate quantum mechanics in moduli spaces using a mini-superspace approach. From this perspective, moduli-dependent functions can be viewed as operators, and…

High Energy Physics - Theory · Physics 2026-05-27 Luis Anchordoqui , Muldrow Etheredge , Dieter Lust

Wave functions and electron potentials of laterally-confined surface states are determined experimentally by means of photoemission from stepped Au(111) surfaces. Using an iterative formalism borrowed from x-ray diffraction, we retrieve the…

Materials Science · Physics 2012-11-13 A. Mugarza , J. E. Ortega , F. J. Himpsel , F. J. Garcia de Abajo

We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…

Chemical Physics · Physics 2019-11-27 Michael Eickenberg , Georgios Exarchakis , Matthew Hirn , Stéphane Mallat , Louis Thiry

We compute the Green's functions for scalars, fermions and vectors in the color field associated with the infinite momentum frame wavefunction of a large nucleus. Expectation values of this wavefunction can be computed by integrating over…

High Energy Physics - Phenomenology · Physics 2011-07-19 Larry McLerran , Raju Venugopalan

The relation between continuous functions and random vectors is revealed in the paper that the main meaning is described as, for any given continuous function, there must be a sequence of probability spaces and a sequence of random vectors…

Probability · Mathematics 2022-11-15 Hong-Xing Li , Wei Zhou , Hong-Hai Mi

We introduce Superstate Quantum Mechanics (SQM), a theory that considers states in Hilbert space subject to multiple quadratic constraints, with ``energy'' also expressed as a quadratic function of these states. Traditional quantum…

Potential energy curves for excited leptonic states of the helium-antihydrogen system are calculated within Ritz' variational approach. An explicitly correlated ansatz for the leptonic wave function is employed describing accurately the…

Atomic Physics · Physics 2015-05-13 V. Sharipov , L. Labzowsky , G. Plunien

The hyperspherical harmonics (HH) provide a complete basis for the expansion of atomic wave functions, but even for two particles the number of harmonics for a given order is not trivial and, as the number of electrons increases, this…

Atomic Physics · Physics 2016-09-08 Anthony D. Klemm , Michel Fabre de la Ripelle , Sigurd Yves Larsen

Radial wave functions for power-law potentials are approximated with the help of power-law substitution and explicit summation of the leading constituent WKB series. Our approach reproduces the correct behavior of the wave functions at the…

Mathematical Physics · Physics 2007-09-27 Vladimir Kudryashov

The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…

Quantum Physics · Physics 2007-05-23 Alán Aspuru-Guzik , Anthony D. Dutoi , Peter J. Love , Martin Head-Gordon

Consider a statistical model with an epistemic restriction such that, unlike in classical mechanics, the allowed distribution of positions is fundamentally restricted by the form of an underlying momentum field. Assume an agent (observer)…

Quantum Physics · Physics 2020-05-15 Agung Budiyono

Several new corrections of order $m\alpha^6$ to the energy levels of $S$ states in helium are obtained from radiative corrections to the Breit potential and from the polarization insertions in the two photon exchange graphs. While…

High Energy Physics - Phenomenology · Physics 2007-05-23 Michael I. Eides , Howard Grotch

We examine collider physics via the spectral power H_l, which utilizes much more detector information than sequential jet reconstruction. We use H_l to define a novel jet definition and use it to reconstruct both e+e- > qqg and e+e > tt…

High Energy Physics - Phenomenology · Physics 2017-09-29 Keith Pedersen , Zack Sullivan

Complete analysis of quantum wave functions of linear systems in an arbitrary number of dimensions is given. It is shown how one can construct a complete set of stationary quantum states of an arbitrary linear system from purely classical…

Quantum Physics · Physics 2007-06-13 Tomasz Sowinski

Quantum mechanics is often developed in the position representation, but this is not necessary, and one can perform calculations in a representation-independent fashion, even for wavefunctions. In this work, we illustrate how one can…

Quantum Physics · Physics 2021-07-28 Michael Rushka , Mark Esrick , Wesley N. Mathews , J. K. Freericks
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