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The Stark resonance parameters for the $3a_{1}$ molecular orbital of H$_{2}$O are computed by solving a system of partial differential equations in spherical polar coordinates. The starting point of the calculation is the quantum potential…

Chemical Physics · Physics 2017-11-22 Susana Arias Laso , Marko Horbatsch

A model potential previously developed for the ammonia molecule is treated in a single-center partial-wave approximation in analogy with a self-consistent field method developed by Moccia. The latter was used in a number of collision…

Chemical Physics · Physics 2024-04-17 Patrik Pirkola , Marko Horbatsch

A partial-wave method is developed to deal with small molecules dominated by a central atom as an extension of earlier single-center methods. In particular, a model potential for the water molecule is expanded over a basis of spherical…

Chemical Physics · Physics 2022-04-06 Patrik Pirkola , Marko Horbatsch

We extend a previously developed model for the Stark resonances of the water molecule. The method employs a partial-wave expansion of the single-particle orbitals using spherical harmonics. To find the resonance positions and decay rates,…

Quantum Physics · Physics 2022-03-22 Patrik Pirkola , Marko Horbatsch

We perform a short review of the history of quantum mechanics, with a focus on the historical problems with describing ionization theoretically in the context of quantum mechanics. The essentials of the theory of resonances are presented.…

Quantum Physics · Physics 2021-03-10 Patrik Pirkola

We obtained accurate resonances for the Stark effect in hydrogen by means of three independent methods. Two of them are based on complex rotation of the coordinates and diagonalization of the Hamiltonian matrix (CRLM and CRCH). The other…

Quantum Physics · Physics 2015-06-22 Francisco M Fernández , Javier Garcia

The relativistic energies and widths of hydrogen-like ions exposed to the uniform electric field are calculated. The calculations are performed for the ground and lowest excited states using the complex scaling technique in combination with…

Atomic Physics · Physics 2023-10-25 I. A. Maltsev , D. A. Tumakov , R. V. Popov , V. M. Shabaev

We calculate quantum mechanically exact wave functions of resonances in spectra of the hydrogen atom in crossed external fields and prove the existence of long-lived decaying quantum states localized at the Stark saddle point. A spectrum of…

Atomic Physics · Physics 2010-06-17 Holger Cartarius , Jörg Main , Thorsten Losch , Günter Wunner

The method of calculation of the resonance characteristics is developed for the metastable states of the Coulomb three-body (CTB) system with two disintegration channels. The energy dependence of K-matrix in the resonance region is…

Quantum Physics · Physics 2009-11-11 D. I. Abramov , V. V. Gusev

In this work, we discuss the resonance states of a quantum particle in a periodic potential plus a static force. Originally this problem was formulated for a crystal electron subject to a static electric field and it is nowadays known as…

Quantum Physics · Physics 2009-11-07 M. Glueck , A. R. Kolovsky , H. J. Korsch

Resonance plays critical roles in the formation of many physical phenomena, and several methods have been developed for the exploration of resonance. In this work, we propose a new scheme for resonance by solving the Dirac equation in…

Nuclear Theory · Physics 2016-08-16 Niu Li , Min Shi , Jian-You Guo , Zhong-Ming Niu , Haozhao Liang

An inhomogeneous electric field is used to study the deflection of a supersonic beam of water molecules. The deflection profiles show strong broadening accompanied by a small net displacement towards higher electric fields. The profiles are…

Chemical Physics · Physics 2009-11-13 Ramiro Moro , Jaap Bulthuis , Jonathon Heinrich , Vitaly V. Kresin

A computationally efficient, self-consistent complex scaling approach to calculating characteristics of excitons in an external electric field in quantum wells is introduced. The method allows one to extract the resonance position as well…

Strongly Correlated Electrons · Physics 2009-01-09 I. V. Ponomarev , L. I. Deych , A. A. Lisyansky

A simple 1-D relativistic model for a diatomic molecule with a double point interaction potential is solved exactly in a constant electric field. The Weyl-Titchmarsh-Kodaira method is used to evaluate the spectral density function, allowing…

Quantum Physics · Physics 2012-10-01 Francois Fillion-Gourdeau , Emmanuel Lorin , Andre D. Bandrauk

Precise calculations of core properties in heavy-atom systems which are described by the operators heavily concentrated in atomic cores, like to hyperfine structure and P,T-parity nonconservation effects, usually require accounting for…

Atomic Physics · Physics 2015-06-26 A. V. Titov , N. S. Mosyagin , A. N. Petrov , T. A. Isaev

We consider the vibrational energy levels of the first two electronic states of the molecule ion $H_2^+$. The Born-Oppenheimer method applied to the case of the Stark effect on a $H_2^+$-like molecule gives existence of sharp resonances…

Mathematical Physics · Physics 2010-09-24 Vincenzo Grecchi , Hynek Kovarik , Andre Martinez , Andrea Sacchetti , Vania Sordoni

Semiclassical behavior of Stark resonances is studied. The complex distortion outside a cone is introduced to study resonances in any energy region for the Stark Hamiltonians with non-globally analytic potentials. The non-trapping resolvent…

Mathematical Physics · Physics 2024-02-06 Kentaro Kameoka

A computational method is proposed to calculate bound and resonant states by solving the Klein-Gordon and Dirac equations for real and complex energies, respectively. The method is an extension of a non-relativistic one, where the potential…

Quantum Physics · Physics 2023-12-06 D. Wingard , B. Kónya , Z. Papp

The amplitude equation for an unstable electrostatic wave is analyzed using an expansion in the mode amplitude $A(t)$. In the limit of weak instability, i.e. $\gamma\to 0^+$ where $\gamma$ is the linear growth rate, the nonlinear…

patt-sol · Physics 2009-10-30 John David Crawford , Anandhan Jayaraman

The resonance states of one- and two-particle Hamiltonians are studied using variational expansions with real basis-set functions. The resonance energies, $E_r$, and widths, $\Gamma$, are calculated using the density of states and an…

Atomic Physics · Physics 2013-06-19 Federico M. Pont , Pablo Serra , Omar Osenda
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