Results 251 to 260 of about 36,457 (313)

Observing time-dependent energy level renormalisation in an ultrastrongly coupled open system. [PDF]

Nat Commun
Colla A, Hasse F, Palani D, Schaetz T, Breuer HP, Warring U.   +5 more
europepmc   +1 more source

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

ChemPhotoChem, 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, Tu V. Chu, Christel M. Marian   +2 more
wiley   +1 more source

Correcting Basis Set Incompleteness in Wave Function Correlation Energy by Dressing Electronic Hamiltonian with an Effective Short-Range Interaction. [PDF]

J Phys Chem Lett
Hapka M, Tucholska A, Modrzejewski M, Golub P, Veis L, Pernal K.   +5 more
europepmc   +1 more source

On the Density–Density Correlations of the Non‐Interacting Finite Temperature Electron Gas

Contributions to Plasma Physics, EarlyView.
ABSTRACT The density–density correlations of the non‐interacting finite temperature electron gas are discussed in detail. Starting from the ideal linear density response function and utilizing general relations from linear response theory, known and novel expressions are derived for the pair correlation function, static structure factor, dynamic ...
Panagiotis Tolias, Tobias Dornheim, Jan Vorberger   +2 more
wiley   +1 more source

Partition Functions and Mass Action Constants of Plasmas of Light Elements at Higher Temperatures

Contributions to Plasma Physics, EarlyView.
ABSTRACT We first analyze the relations between the work of Planck and Klimontovich and show that Klimontovich's kinetic theory of non‐ideal plasmas confirms Planck's partition function for the hydrogen plasma. We discuss and check the Planck‐Brillouin‐Larkin (PBL) expressions for Hydrogen with PIMC calculations and derive new partition functions and ...
Werner Ebeling, Gerd Röpke
wiley   +1 more source

Non‐Markovian Quantum Kinetic Simulations of Uniform Dense Plasmas: Mitigating the Aliasing Problem

Contributions to Plasma Physics, EarlyView.
ABSTRACT Dense quantum plasmas out of equilibrium are successfully modeled using quantum kinetic equations, such as the quantum Boltzmann, Landau, or Balescu–Lenard equation. However, these equations do not properly take into account correlation effects, which require the use of generalized non‐Markovian kinetic equations.
C. Makait, M. Bonitz
wiley   +1 more source

Predicting the Uniform Electron Gas Stopping Power at Moderate and Strong Coupling

Contributions to Plasma Physics, EarlyView.
ABSTRACT This paper presents a detailed study of the stopping power of a homogeneous electron gas in moderate and strong coupling regimes using the self‐consistent version of the method of moments as the key theoretical approach capable of expressing the dynamic characteristics of the system in terms of the static ones, which are the moments.
Saule A. Syzganbayeva, Alexey V. Filinov, Jesús Ara, Assel B. Ashikbayeva, Abdiadil Askaruly, Lazzat T. Yerimbetova, Manuel D. Barriga‐Carrasco, Yuriy V. Arkhipov, Igor M. Tkachenko   +8 more
wiley   +1 more source

A review of multiscale numerical modeling of rock mechanics and rock engineering

Deep Underground Science and Engineering, EarlyView.
Multiscale numerical methods of rock mechanics and rock engineering are reviewed, and the review results show that more attention should be paid to the development of an advanced constitutive model in addition to numerical techniques themselves. Abstract Rock is geometrically and mechanically multiscale in nature, and the traditional phenomenological ...
Xindong Wei, Zhe Li, Gaofeng Zhao
wiley   +1 more source

Dual‐Confinement Strategy Improves the Stability of High‐Entropy Alloys in Ultra‐Large Current Zinc‐Air Batteries

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Illustration of the synthetic route and mechanism of HEAs with dual‐confinement strategy. This study developed a symbiotic dual‐confinement strategy integrating interstitial oxygen doping and carbon coating to enhance high‐entropy alloys for high‐current‐density zinc‐air batteries.
Xiaoxiao Zou, Songsong Zhi, Bohuai Pang, Xinyu Zhao, Hang Ma, Genfu Zhao, Hong Guo   +6 more
wiley   +1 more source

Effects of Concurrent Sulfur and Phosphorus Incorporation in Nickel Cyclam‐Based Complexes

European Journal of Inorganic Chemistry, EarlyView.
The concurrent incorporation of phosphorus and sulfur into cyclam is investigated by the synthesis of the P, S, N‐containing 14‐membered macrocycles and their corresponding nickel complexes, which exist in both square‐planar and octahedral geometries.
Tatiana Guseva, Ayan Bera, Veza Ludwig, Daniel Siegmund, Philipp Gerschel, Kallol Ray, Ulf‐Peter Apfel   +6 more
wiley   +1 more source