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Related papers: Multichannel quantum-defect theory for anisotropic…

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Multichannel Quantum Defect Theory (MQDT) is shown to be capable of producing quantitatively accurate results for low-energy atom-molecule scattering calculations. With a suitable choice of reference potential and short-range matching…

Atomic Physics · Physics 2015-03-19 James F. E. Croft , Alisdair O. G. Wallis , Jeremy M. Hutson , Paul S. Julienne

We show that multichannel quantum defect theory (MQDT) can be applied successfully as an efficient computational method for cold molecular collisions in Li+NH, which has a deep and strongly anisotropic interaction potential. In this…

Chemical Physics · Physics 2013-05-10 James F. E. Croft , Jeremy M. Hutson

We present a multiscale quantum-defect theory (QDT) for two identical atoms in a symmetric harmonic trap that combines the quantum-defect theory for the van der Waals interaction [B. Gao, Phys. Rev. A \textbf{64}, 010701(R) (2001)] at short…

Statistical Mechanics · Physics 2009-11-13 Yujun Chen , Bo Gao

We present a quantum-defect theory (QDT) for the $-1/r^4$ type of long-range potential, as a foundation for a systematic understanding of charge-neutral quantum systems such as ion-atom, ion-molecule, electron-atom, and positron-atom…

Atomic Physics · Physics 2014-02-18 Bo Gao

We present a multichannel quantum-defect theory for slow atomic collisions that takes advantages of the analytic solutions for the long-range potential, and both the energy and the angular-momentum insensitivities of the short-range…

Atomic Physics · Physics 2009-11-11 Bo Gao , Eite Tiesinga , Carl J. Williams , Paul S. Julienne

Multichannel quantum defect theory (MQDT) can provide an efficient alternative to full coupled-channel calculations for low-energy molecular collisions. However, the efficiency relies on interpolation of the Y matrix that encapsulates the…

Chemical Physics · Physics 2013-05-10 James F. E. Croft , Jeremy M. Hutson , Paul S. Julienne

We present a quantum theory of ion-atom interaction that is applicable at energies comparable to or smaller than the atomic hyperfine splitting and takes proper account of the effects of identical nuclei. The theory reveals the subtlety and…

Atomic Physics · Physics 2015-06-18 Ming Li , Li You , Bo Gao

Multichannel quantum defect theory (MQDT) provides a powerful toolkit for describing and understanding collisions of cold alkali atoms. Various MQDT approximations differ primarily in how they characterize the so-called short-ranged…

Atomic Physics · Physics 2023-08-01 Alyson Laskowski , Nirav Mehta

The multichannel quantum defect theory (MQDT) can be reinterpreted as a quantum Poincare map in representation of angular momentum. This has two important implications: we have a paradigm of a true quantum Poincare map without…

chao-dyn · Physics 2016-08-31 F. Leyvraz , R. A. Mendez-Sanchez , M. Lombardi , T. H. Seligman

We present a multiscale quantum-defect theory based on the first analytic solution for a two-scale long range potential consisting of a Coulomb potential and a polarization potential. In its application to atomic structure, the theory…

Atomic Physics · Physics 2016-10-25 Haixiang Fu , Mingzhe Li , Meng Khoon Tey , Li You , Bo Gao

As a physically motivated and computationally simple model for cold atomic and molecular collisions, the multichannel quantum defect theory (MQDT) with frame transformation (FT) formalism provides an analytical treatment of scattering…

We extend the powerful formalism of multichannel quantum defect theory combined with a frame transformation to ultracold atom-molecule collisions in magnetic fields. By solving the coupled-channel equations with hyperfine and Zeeman…

Chemical Physics · Physics 2024-09-10 Masato Morita , Paul Brumer , Timur V. Tscherbul

We extend Multichannel Quantum Defect Theory (MQDT) to ultracold collisions involving high partial wave quantum numbers $L$. This requires a careful standardization of the MQDT reference wave functions at long range to ensure their linear…

Atomic Physics · Physics 2015-06-12 Brandon P. Ruzic , Chris H. Greene , John L. Bohn

We apply quantum defect theory to study low energy ground state atomic collisions including aligned dipole interactions such as those induced by an electric field. Our results show that coupled even ($l$) relative orbital angular momentum…

Quantum Physics · Physics 2009-11-07 B. Deb , L. You

The multichannel generalization of the theory of spectral, scattering and decay control is presented. New universal algorithms of construction of complex quantum systems with given properties are suggested. Particularly, transformations of…

Quantum Physics · Physics 2009-11-07 V. M. Chabanov , B. N. Zakhariev , I. V. Amirkhanov

Quantum-matter theory (QMT), based on the Schr\"odinger or Dirac equations, is firmly established for both intra- and intermolecular interactions. However, there are two key issues with QMT. First, its applicability to large molecular…

Chemical Physics · Physics 2026-03-19 Reza Karimpour , Matteo Gori , Alexandre Tkatchenko

Fundamental understanding of interatomic forces in molecules must emerge from quantum mechanics, yet widely used empirical force fields rely on simplified mechanistic approximations that often fail to capture the complexity of many-body…

We consider a general problem of inelastic collision of particles interacting with power-law potentials. Using quantum defect theory we derive an analytical formula for the energy-dependent complex scattering length, valid for arbitrary…

Atomic Physics · Physics 2014-10-14 Krzysztof Jachymski , Michał Krych , Paul S. Julienne , Zbigniew Idziaszek

We present a formalism for cold and ultracold atom-diatom chemical reactions that combines a quantum close-coupling method at short-range with quantum defect theory at long-range. The method yields full state-to-state rovibrationally…

Atomic Physics · Physics 2015-06-23 Jisha Hazra , Brandon P. Ruzic , John L. Bohn , N. Balakrishnan

Quantum defect embedding theory (QDET) is a many-body embedding method designed to describe condensed systems with correlated electrons localized within a given region of space, for example spin defects in semiconductors and insulators.…

Materials Science · Physics 2025-08-28 Siyuan Chen , Victor Wen-zhe Yu , Yu Jin , Marco Govoni , Giulia Galli
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