Results 161 to 170 of about 162,690 (325)

Damped quantum harmonic oscillator

open access: yes, 2006
36 pages, review ...
Isar, A., Sandulescu, A.
openaire   +2 more sources

Vibrational Partition Functions from Bond Order and Populations Relationships

open access: yesChemPhysChem, EarlyView.
A new computational model is presented that predicts vibrational partition functions using bond orders and populations relationships (QBOP). This model demonstrates that thermochemical energy contributions can be reasonably approximated based on well‐conditioned orbital populations without the need for a costly Hessian calculation.
Barbaro Zulueta, John A. Keith
wiley   +1 more source

Accurate and Efficient Description of Acidic Zeolites with Plane‐Wave Density Functional Theory Using Range‐Separated Hybrid Functionals

open access: yesChemPhysChem, EarlyView.
Range‐separated functionals, such as ωB97M‐D4, are shown to perform very well for reactions in acidic zeolites. Importantly, they work well with plane‐wave density functional theory and can thus be directly applied to periodic models at modest computational cost.
Philipp Huber, Philipp N. Plessow
wiley   +1 more source

Hybrid coherent control of magnons in a ferromagnetic phononic resonator excited by laser pulses

open access: yesPhysical Review Research
We propose and demonstrate the concept of hybrid coherent control (CC) whereby a quantum or classical harmonic oscillator is excited by two excitations: one is quasiharmonic (i.e., harmonic with a finite lifetime) and the other is a pulsed broadband ...
Alexey V. Scherbakov   +8 more
doaj   +1 more source

Quantum Recurrent Neural Networks: Predicting the Dynamics of Oscillatory and Chaotic Systems

open access: yesAlgorithms
In this study, we investigate Quantum Long Short-Term Memory and Quantum Gated Recurrent Unit integrated with Variational Quantum Circuits in modeling complex dynamical systems, including the Van der Pol oscillator, coupled oscillators, and the Lorenz ...
Yuan Chen, Abdul Khaliq
doaj   +1 more source

How Donor–Bridge–Acceptor Orientation and Chemical Modification Affect the Thermally Activated Delayed Fluorescence Abilities of Boron‐Based Emitters

open access: yesChemPhotoChem, EarlyView.
Quantum chemistry has been used to investigate the key factors that determine the (reverse) intersystem crossing processes in boron‐based organic light‐emitting diode emitters. The ortho‐linked through‐space charge‐transfer compounds exhibit smaller singlet–triplet splittings than their para‐linked through‐bond charge‐transfer regioisomers.
Jeremy M. Kaminski   +2 more
wiley   +1 more source

Non-classical correlations beyond Bell’s inequality violation in qubit-pairs with an intrinsic noise

open access: yesResults in Physics, 2019
In this paper, we analytically explore two qubits interacting with a coherent harmonic oscillator field under intrinsic noise. The interaction of the uncorrelated two qubits with a harmonic oscillator initially in the superposition of coherent states ...
A.-B. A. Mohamed, H. Eleuch
doaj  

Red‐to‐Near‐Infrared Electroluminescence and Low‐Threshold Amplified Spontaneous Emission from Solution‐Processable Fluorescent Diketopyrrolopyrrole Derivatives

open access: yesChemPhotoChem, EarlyView.
The photophysical, electroluminescence, and amplified spontaneous emission properties of two solution‐processable fluorescent diketopyrrolopyrrole derivatives are examined in details. The results demonstrate that this type of organic near‐infrared light‐emitting materials are extremely promising for organic light‐emitting diodes and organic ...
Anthony D’ Aléo   +10 more
wiley   +1 more source

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