scholarly journals Solvation and Polarization of theN-Methyl Amine Molecule in Aqueous Solution:  A Combined Study of Quantum Mechanics and Integral Equation Theory in Three Dimensions

2007 ◽  
Vol 111 (48) ◽  
pp. 13658-13658 ◽  
Author(s):  
Qishi Du ◽  
Dmitri Beglov ◽  
Dongqing Wei ◽  
Benoît Roux
Keyword(s):  
Aqueous Solution ◽  
Integral Equation ◽  
Quantum Mechanics ◽  
Three Dimensions ◽  
Integral Equation Theory ◽  
Methyl Amine ◽  
Amine Molecule

scholarly journals Polyelectrolyte hydration: Theory and experiment

2008 ◽  
Vol 80 (6) ◽  
pp. 1253-1266 ◽  
Author(s):  
Vojko Vlachy
Keyword(s):  
Experimental Data ◽  
Aqueous Solution ◽  
Integral Equation ◽  
Theoretical Approach ◽  
Short Review ◽  
Integral Equation Theory ◽  
Stat Phys ◽  
Specific Effects ◽  
Polyelectrolyte Solutions ◽  
Theory And Experiment

A short review of recent theoretical and experimental advances in studies of polyelectrolyte solutions is presented. The focus is on ion-specific effects as revealed in measurements of osmotic pressure and enthalpy of dilution. We review the experimental results for two different polyelectrolyte systems: (i) salts of polyanetholesulfonic acid, and (ii) aliphatic ionenes (polycations) in aqueous solution with various counterions. A theoretical approach based on the extension of Wertheim's integral equation theory [J. Stat. Phys.35, 19 (1984)] is used to analyze the experimental data. Preliminary results, based on the all-atom simulation of model 3,3 ionene oligomers, are discussed in the light of polyelectrolyte hydration.

QLB for Quantum Many-Body and Quantum Field Theory

2018 ◽  
Author(s):  
Sauro Succi
Keyword(s):  
Field Theory ◽  
Quantum Field Theory ◽  
Quantum Mechanics ◽  
Quantum Computing ◽  
Single Particle ◽  
Body Problem ◽  
Three Dimensions ◽  
Quantum Field ◽  
Many Body ◽  
Quantum Particles

Chapter 32 expounded the basic theory of quantum LB for the case of relativistic and non-relativistic wavefunctions, namely single-particle quantum mechanics. This chapter goes on to cover extensions of the quantum LB formalism to the overly challenging arena of quantum many-body problems and quantum field theory, along with an appraisal of prospective quantum computing implementations. Solving the single particle Schrodinger, or Dirac, equation in three dimensions is a computationally demanding task. This task, however, pales in front of the ordeal of solving the Schrodinger equation for the quantum many-body problem, namely a collection of many quantum particles, typically nuclei and electrons in a given atom or molecule.

Selective Ion Binding by Protein Probed with the Statistical Mechanical Integral Equation Theory

2007 ◽  
Vol 111 (17) ◽  
pp. 4588-4595 ◽  
Author(s):  
Norio Yoshida ◽  
Saree Phongphanphanee ◽  
Fumio Hirata
Keyword(s):  
Integral Equation ◽  
Integral Equation Theory ◽  
Ion Binding ◽  
Statistical Mechanical

Integral equation theory of biaxial liquid crystalline system

2021 ◽  
Author(s):  
Sahire Azam Ansary ◽  
Pankaj Mishra
Keyword(s):  
Integral Equation ◽  
Liquid Crystalline ◽  
Integral Equation Theory ◽  
Crystalline System ◽  
Liquid Crystalline System

scholarly journals Topological correlators and surface defects from equivariant cohomology

2020 ◽  
Vol 2020 (9) ◽  
Author(s):  
Rodolfo Panerai ◽  
Antonio Pittelli ◽  
Konstantina Polydorou
Keyword(s):  
Quantum Mechanics ◽  
Equivariant Cohomology ◽  
Surface Defects ◽  
Star Product ◽  
Three Dimensional ◽  
Three Dimensions ◽  
Dimensional System ◽  
The Novel ◽  
One Dimensional ◽  
Dual Quantum

Abstract We find a one-dimensional protected subsector of $$ \mathcal{N} $$ N = 4 matter theories on a general class of three-dimensional manifolds. By means of equivariant localization we identify a dual quantum mechanics computing BPS correlators of the original model in three dimensions. Specifically, applying the Atiyah-Bott-Berline-Vergne formula to the original action demonstrates that this localizes on a one-dimensional action with support on the fixed-point submanifold of suitable isometries. We first show that our approach reproduces previous results obtained on S3. Then, we apply it to the novel case of S2× S1 and show that the theory localizes on two noninteracting quantum mechanics with disjoint support. We prove that the BPS operators of such models are naturally associated with a noncom- mutative star product, while their correlation functions are essentially topological. Finally, we couple the three-dimensional theory to general $$ \mathcal{N} $$ N = (2, 2) surface defects and extend the localization computation to capture the full partition function and BPS correlators of the mixed-dimensional system.

Comparison of atomic force microscopy force curve and solvation structure studied by integral equation theory

2021 ◽  
Vol 154 (16) ◽  
pp. 164702
Author(s):  
Kota Hashimoto ◽  
Ken-ichi Amano ◽  
Naoya Nishi ◽  
Hiroshi Onishi ◽  
Tetsuo Sakka
Keyword(s):  
Integral Equation ◽  
Atomic Force Microscopy ◽  
Integral Equation Theory ◽  
Force Curve ◽  
Force Microscopy ◽  
Atomic Force ◽  
Solvation Structure
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