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The Complex Absorbing Potential (CAP) method is widely used to compute resonances in Quantum Chemistry, both for nonrelativistic and relativistic Hamiltonians. In the semiclassical limit $\hbar \to 0$ we consider resonances near the real…

Analysis of PDEs · Mathematics 2013-10-08 J. Kungsman , M. Melgaard

This resonance is similar in character to other resonances in atomic physics. It is parameterized by its energy and its lifetime. A numerical discretization technique, the mapped Fourier grid method (MFG) is extended to the Dirac equation…

Atomic Physics · Physics 2008-09-27 Edward Ackad

The complex absorbing potential (CAP) technique is one of the commonly used Non-Hermitian quantum mechanics approaches for characterizing electronic resonances. CAP combined with various electronic structure methods has shown promising…

Chemical Physics · Physics 2025-03-11 Soubhik Mondal , Ksenia B. Bravaya

The complex absorbing potential (CAP) formalism has been successfully employed in various wavefunction-based methods to study electronic resonance states. In contrast, Green's function-based methods are widely used to compute ionization…

Chemical Physics · Physics 2026-05-20 Loris Burth , Fábris Kossoski , Pierre-François Loos

We study the Complex Absorbing Potential (CAP) Method in computing quantum resonances of width $c(h) = O(h^N)$, $N\gg1$. We show that up to $h^{-M}\sqrt{c(h)} +\Oh$ error, $M\gg1$, resonances are perturbed eigenvalues of the CAP Hamiltonian…

Mathematical Physics · Physics 2007-05-23 Plamen Stefanov

We show that the complex absorbing potential (CAP) method for computing scattering resonances applies to the case of exponentially decaying potentials. That means that the eigenvalues of $-\Delta + V - i\epsilon x^2$, $|V(x)|\leq C…

Spectral Theory · Mathematics 2021-03-17 Haoren Xiong

The rigorous two-center approach based on the dual-kinetically balanced finite-basis-set expansion is applied to one-electron, heteronuclear diatomic Bi-Au, U-Pb, and Cf-U quasimolecules. The obtained $1\sigma$ ground-state energies are…

Electronic resonances are metastable states that can decay by electron loss. They are ubiquitous across various fields of science, such as chemistry, physics, and biology. However, current theoretical and computational models for resonances…

Chemical Physics · Physics 2025-04-15 Yann Damour , Anthony Scemama , Fábris Kossoski , Pierre-François Loos

Complex absorbing potentials (CAPs) are artificial potentials added to electronic Hamiltonians to make the wave function of metastable electronic states square-integrable. This makes electronic-structure theory of resonances comparable to…

Chemical Physics · Physics 2023-12-27 Jerryman A. Gyamfi , Thomas-C. Jagau

The complex scaling method is applied to study the resonances of a Dirac particle in a Morse potential. The applicability of the method is demonstrated with the results compared with the available data. It is shown that the present…

Quantum Physics · Physics 2013-05-20 Quan Liu , Zhong-Ming Niu , Jian-You Guo

A method for calculating the electronic levels in the compact superheavy nuclear quasi-molecules, based on solving the two-center Dirac equation using the multipole expansion of two-center potential, is developed. For the internuclear…

Atomic Physics · Physics 2018-01-18 A. A. Roenko , K. A. Sveshnikov

In coherent diffractive imaging (CDI) the resolution of the reconstructed object is limited by the numerical aperture of the experimental setup. We present here a theoretical and numerical study for achieving super-resolution by…

Data Analysis, Statistics and Probability · Physics 2016-09-20 Tatiana Latychevskaia , Yuriy Chushkin , Hans-Werner Fink

The analytic properties of the ground state resonance energy E(g) of the cubic potential are investigated as a function of the complex coupling parameter g. We explicitly show that it is possible to analytically continue E(g) by means of a…

Mathematical Physics · Physics 2010-10-12 J. Zinn-Justin , U. D. Jentschura

Complex absorbing potentials (CAPs) are artificial potentials added to electronic Hamiltonians to make the wavefunction of metastable electronic states square-integrable. This makes the electronic structure problem of electronic resonances…

Chemical Physics · Physics 2022-11-29 Jerryman A. Gyamfi , Thomas -C. Jagau

We solve the two-component Dirac equation in the presence of a spatially one dimensional symmetric cusp potential. We compute the scattering and bound states solutions and we derive the conditions for transmission resonances as well as for…

High Energy Physics - Theory · Physics 2009-11-10 Victor M. Villalba , Walter Greiner

In two-dimensional Dirac semimetals, Cooper pairing instability occurs only when the attractive interaction strength $|u|$ is larger than some critical value $|u_{c}|$ because the density of states vanishes at Dirac points. Disorders…

Superconductivity · Physics 2017-02-17 Jing Wang , Peng-Lu Zhao , Jing-Rong Wang , Guo-Zhu Liu

We calculate the $c\bar{b}$ mass spectrum, the splitting values and some other properties in the framework of the semi-relativistic equation by applying the shifted large-N expansion technique. We use seven different central potentials…

High Energy Physics - Phenomenology · Physics 2011-03-23 Sameer M. Ikhdair , Ramazan Sever

A microscopic scaling relation linking the normal and superconducting states of the cuprates in the presence of a pseudogap is presented using angle-resolved photoemission spectroscopy. This scaling relation, complementary to the bulk…

Superconductivity · Physics 2011-12-02 J. D. Rameau , Z. -H. Pan , H. -B. Yang , G. D. Gu , P. D. Johnson

The superconducting proximity effect on two-dimensional massless Dirac electrons is usually analyzed using a simple model consisting of the Dirac Hamiltonian and an energy-independent pair potential. Although this conventional model is…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Yositake Takane , Ryo Ando

The superconducting state of underdoped cuprates is often described in terms of a single energy-scale, associated with the maximum of the (d-wave) gap. Here, we report on electronic Raman scattering results, which show that the gap function…

Superconductivity · Physics 2007-05-23 M. Le Tacon , A. Sacuto , A. Georges , G. Kotliar , Y. Gallais , D. Colson , A. Forget
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