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Chapter and Conference Paper
Correlations, Shapes, and Fragmentations of Ultracold Matter
This 2022 report summarizes our activities at the HLRS facilities (Hawk) in the framework of the multiconfigurational time-dependent Hartree for indistinguishable particles (MCTDH-X) high-performance computati...
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Chapter and Conference Paper
Quantum simulators, phase transitions, resonant tunneling, and variances: A many-body perspective
This 2021 report summarizes our activities at the HLRS facilities Hawk and Hazel Hen in the framework of the multiconfigurational time-dependent Hartree for indistinguishable particles (MCTDH-X) high-performan...
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Chapter and Conference Paper
Crystallization, Fermionization, and Cavity-Induced Phase Transitions of Bose-Einstein Condensates
Bose-Einstein condensates (BECs) are one of the cornerstones in the exploration of the quantum many-body physics of interacting indistinguishable particles. Here, we study them using the MultiConfigurational T...
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Chapter and Conference Paper
MCTDH-X: The Multiconfigurational Time-Dependent Hartree Method for Indistinguishable Particles High-Performance Computation Project
This report introduces the multiconfigurational time-dependent Hartree method for indistinguishable particles (MCTDH-X) high performance computation project and its recent research results. We solved the many-...
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Chapter and Conference Paper
Exploring Many-Body Physics with Bose-Einstein Condensates
Bose-Einstein condensates (BECs) offer a fruitful, often uncharted ground for exploring physics of many-particle systems. In the present year of the MCTDHB project at the HLRS, we maintained and extended our i...
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Article
Open AccessCharge transfer to ground-state ions produces free electrons
Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a comple...
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Article
Open AccessInteratomic Coulombic decay cascades in multiply excited neon clusters
In high-intensity laser light, matter can be ionized by direct multiphoton absorption even at photon energies below the ionization threshold. However on tuning the laser to the lowest resonant transition, the ...
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Article
The role of metal ions in X-ray-induced photochemistry
Metal centres in biomolecules are recognized as being particularly sensitive to radiation damage by X-ray photons. This results in such molecules being both susceptible to an effective X-ray-induced loss of fu...
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Article
Autoionization of an ultracold Rydberg gas through resonant dipole coupling
We investigate a possible mechanism for the autoionization of ultracold Rydberg gases, based on the resonant coupling of Rydberg pair states to the ionization continuum. Unlike an atomic collision where the wa...
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Article
Intriguing electron correlation effects in the photoionization of metallic quantum-dot nanorings
We report detailed results on ionization in metallic quantum-dot (QD) nanorings described by the extended Hubbard model at half filling obtained by exact numerical diagonalization. In spite of very strong elec...
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Chapter
Quantum Chemical Approach to Interatomic Decay Rates in Clusters
Since their theoretical prediction in 1997, interatomic (intermolecular) Coulombic decay (ICD) and related processes have been in the focus of intensive theoretical and experimental research. The spectacular p...
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Chapter
Neutral Two-Body Systems of Charged Particles in External Fields
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Chapter
Hydrogen Molecule in Magnetic Fields: On Excited Σ States of the Parallel Configuration
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Article
Collective quantum tunneling of strongly correlated electrons in commensurate mesoscopic rings
We present a new effect that is possible for strongly correlated electrons in commensurate mesoscopic rings: the collective tunneling of electrons between classically equivalent configurations, corresponding to o...
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Article
Possible long-lived quartet resonance states of CO−
Two states of CO− which are expected to live longer than the well-known 2Π shape resonance are examined and the results obtained are compared with the analogous states of the isoelectronic N2 − system. The 4Σ− a...
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Article
The smooth structural change in mesoscopic Peierls chains
We investigate the Peierls transition in finite chains by exact (Lanczos) diagonalization and within a seminumerical method based on the factorization of the electron-phonon wave function (Adiabatic Ansatz, AA...
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Book
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Article
Optical Potentials for Elastic and Inelastic Scattering of Non-Electronic Projectiles from Electronic Targets
The usual text book one-particle Green's function possesses a self-energy that is known to be an optical potential for elastic scattering. The introduction of an optical potential reduces the complex many-body s...
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Article
Competition between excitation and electronic decay of short-lived molecular states
The nuclear dynamics accompanying the excitation to and the subsequent decay of an electronic state is discussed. Particular attention is paid to cases, in which the whole process cannot be divided into two st...
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Chapter
Time—Dependent Nuclear Dynamics of Decaying States
The wavepacket dynamics accompanying the excitation to a decaying electronic state and the subsequent decay to final electronic states are discussed. The cross—sections for the excitation and for the productio...