quantum statistical mechanics
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2022 ◽  
pp. 219-252
Author(s):  
Pranab Sarkar ◽  
Sankar Prasad Bhattacharyya

Author(s):  
Ladislaus Bányai

We derive the thermal noise spectrum of the of the longitudinal and transverse electric field operator of a given wave vector starting from the quantum-statistical definitions and relate it to the complex frequency and wave vector dependent complex conductivity in a homogeneous, isotropic system of electromagnetic interacting electrons. No additional assumptions were used in the proof. We analyze separately the longitudinal and transverse case with their peculiarities. The Nyquist formula for vanishing frequency and wave vector, as well as its modification for non-vanishing frequencies and wave vectors follow immediately. Furthermore we discuss also the noise of the photon occupation numbers.


Author(s):  
Arsham Ghavasieh ◽  
Manlio De Domenico

Abstract In the last two decades, network science has proven to be an invaluable tool for the analysis of empirical systems across a wide spectrum of disciplines, with applications to data structures admitting a representation in terms of complex networks. On the one hand, especially in the last decade, an increasing number of applications based on geometric deep learning have been developed to exploit, at the same time, the rich information content of a complex network and the learning power of deep architectures, highlighting the potential of techniques at the edge between applied math and computer science. On the other hand, studies at the edge of network science and quantum physics are gaining increasing attention, e.g., because of the potential applications to quantum networks for communications, such as the quantum Internet. In this work, we briefly review a novel framework grounded on statistical physics and techniques inspired by quantum statistical mechanics which have been successfully used for the analysis of a variety of complex systems. The advantage of this framework is that it allows one to define a set of information-theoretic tools which find widely used counterparts in machine learning and quantum information science, while providing a grounded physical interpretation in terms of a statistical field theory of information dynamics. We discuss the most salient theoretical features of this framework and selected applications to protein-protein interaction networks, neuronal systems, social and transportation networks, as well as potential novel applications for quantum network science and machine learning.


Author(s):  
Ladislaus Alexander Bányai ◽  
Mircea Bundaru ◽  
Paul Gartner

We derive the thermal noise spectrum of the Fourier transform of the electric field operator of a given wave vector starting from the quantum-statistical definitions and relate it to the complex frequency and wave vector dependent complex conductivity in a homogeneous, isotropic system of electromagnetic interacting electrons. We analyze separately the longitudinal and transverse case with their peculiarities. The Nyquist formula for vanishing frequency and wave vector, as well as its modification for non-vanishing frequencies and wave vectors follow immediately. Furthermore we discuss also the noise of the photon occupation numbers. It is important to stress that no additional assumptions at all were used in this straightforward proof.


Author(s):  
Ladislaus Alexander Bányai ◽  
Mircea Bundaru ◽  
Paul Gartner

We derive the thermal noise spectrum of the Fourier transform of the electric field operator of a given wave vector starting from the quantum-statistical definitions and relate it to the complex frequency and wave vector dependent complex conductivity in a homogeneous, isotropic system of electromagnetic interacting electrons. We analyze separately the longitudinal and transverse case with their peculiarities. The Nyquist formula for vanishing frequency and wave vector, as well as its modification for non-vanishing frequencies and wave vectors follow immediately. Furthermore we discuss also the noise of the photon occupation numbers. It is important to stress that no additional assumptions at all were used in this straightforward proof.


Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3953
Author(s):  
Carlos Emiliano Buelna-García ◽  
Eduardo Robles-Chaparro ◽  
Tristan Parra-Arellano ◽  
Jesus Manuel Quiroz-Castillo ◽  
Teresa del-Castillo-Castro ◽  
...  

Lowest-energy structures, the distribution of isomers, and their molecular properties depend significantly on geometry and temperature. Total energy computations using DFT methodology are typically carried out at a temperature of zero K; thereby, entropic contributions to the total energy are neglected, even though functional materials work at finite temperatures. In the present study, the probability of the occurrence of one particular Be4B8 isomer at temperature T is estimated by employing Gibbs free energy computed within the framework of quantum statistical mechanics and nanothermodynamics. To identify a list of all possible low-energy chiral and achiral structures, an exhaustive and efficient exploration of the potential/free energy surfaces is carried out using a multi-level multistep global genetic algorithm search coupled with DFT. In addition, we discuss the energetic ordering of structures computed at the DFT level against single-point energy calculations at the CCSD(T) level of theory. The total VCD/IR spectra as a function of temperature are computed using each isomer’s probability of occurrence in a Boltzmann-weighted superposition of each isomer’s spectrum. Additionally, we present chemical bonding analysis using the adaptive natural density partitioning method in the chiral putative global minimum. The transition state structures and the enantiomer–enantiomer and enantiomer–achiral activation energies as a function of temperature evidence that a change from an endergonic to an exergonic type of reaction occurs at a temperature of 739 K.


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