Excited states methods and quantum dynamics
Variational Quantum Computation of Excited States
... of excited state energies of electronic structure Hamiltonians has many im- portant applications, such as the calculation of optical spectra and reaction ...depth quantum algorithms, such as the varia- ...
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Quantum entanglement of localized excited states at finite temperature
... locally excited states in two dimensional conformal field theories (CFTs) at finite temper- ...consider excited states created by acting with local operators on thermal states and give ...
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Quantum entanglement of localized excited states at finite temperature
... locally excited states in two dimensional conformal field theories (CFTs) at finite temper- ...consider excited states created by acting with local operators on thermal states and give ...
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Ab initio Quantum Chemistry Methods for Modeling Molecular Excited States Beyond Configuration Interaction Singles
... 3.3. Variational Orbital Adapted CIS (VOA-CIS) With the previous background material in mind, we now describe the VOA-CIS approach. In the spirit of CIS(D n ) (and also CIS(2) [74]), our intention is to ...
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Excited States and Transition Metal Compounds with Quantum Monte Carlo
... and excited electronic states ...spectroscopic methods online and in situ during the ox- idative dehydrogenation of propane on a supported vanadium oxide ...
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Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States
... the quantum mechanical treatment of realistic biological systems has been accomplished in 1976 by Warshel and Levitt 2 through the introduction of mixed quantum mechanical/molecular mechanical (QM/MM) meth- ...
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Entanglement complexity of quantum states, dynamics and quantum computation
... variational quantum algorithms well before the major- ity of the community became interested in this direction, and generously shared their related expertise during our ...
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Challenging systems for quantum chemistry : inorganic excited states and intermolecular aggregates
... Chapter 1 Introduction 1.1 Introduction to transition metal complexes In this introduction the current state-of-the-art for the computation of transition metal chemistry will be discussed. The use of different levels of ...
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Numerical Methods for Many-Body Quantum Dynamics
... the dynamics are constrained to the same subspace of the Hilbert ...the dynamics is limited by the finite bond dimension χ, as the evolution explores this subspace, both methods reach the same ...
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Quantum modelling of photo-excited processes
... lowest excited singlet and triplet states induces local geometric relaxation in the central region of PPV chains and charge rearrangement among the polymer atoms within the distorted ...
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Ultrafast Electron Diffraction: Direct Determination of Structural Dynamics of Molecular Excited States
... and excited state systems, which will be demonstrated by ...ground states (chlorobenzene, bromobenzene, iodobenzene, 2-fluoropyridine, acetylacetone, benzaldehyde, acetophenone, and ...
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Rational Design of Platinum(II) Complexes with Ligand-to-Ligand Charge Transfer Excited States and Study of their Excited State Dynamics.
... electronic excited states have been studied by a myriad of spectroscopic techniques that have been complemented by theoretical investigations, the ability to control and manipulate excited-state ...
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Quantum system-bath dynamics with quantum superposition sampling and coupled generalized coherent states
... sampling methods were ...sampling methods, however, are not trivial, and finding new and better techniques to improve convergence of MCEv2 is of great importance for the future use in AIMC direct ...
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Quantum system-bath dynamics with quantum superposition sampling and coupled generalized coherent states
... 1 Quantum system-bath dynamics with Quantum Superposition Sampling and Coupled Generalised Coherent States. Oliver Bramley 1) , Christopher Symonds 1),2) , and Dmitrii V. Shalashilin 1) 1) ...
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Spectroscopy of excited states in 252No
... nucleons quantum nature, has been the application of the spherical shell ...particle states of all the constituent fermionic nucleons are found as interacting only with a mean field potential, chosen to ...
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Excited-state relaxation in PbSe quantum dots
... high-energy excited states to low- energy excited states is picosecond fast, it was hoped that electron and hole relaxation could be slowed down in quantum dots, due to the ...
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Ultrafast excited states dynamics of [Ru(bpy)3]2+ dissolved in ionic liquids
... 3 MLCT cold was found to take place within 120 fs. Yoon et al. obtained from time-resolved Raman spectroscopy a time con- stant of 110 fs, 38 which agrees well with our findings. Other literature values mostly refer to ...
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Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states
... coherent states for indistinguishable bosons (CCSB) is tested on two model ...other methods in distinguishable representation in 20 ...the dynamics of the system and Fourier transform spectrum ...
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Schrödinger Quantization and Excited States of Zitterbewegung
... of quantum mechanics giving new degrees of freedom to the electron, the fundamental among which being ...and quantum spin described with his exclusion ...two quantum mechanical descriptions proposed ...
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Measurement-driven dynamics for a coherently-excited atom
... ˆ ρ = 1 2 ( | 0 ih 0 | + | 1 ih 1 | ) . (11) The decay is oscillatory if γ is small, but exponential for larger values of γ. The evolution can also be solved numerically using Monte Carlo methods to give ...
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