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At least 19 records

A survey on application of representation theory to molecular vibration

Representations Theory is used extensively in many of the physical sciences as every physical system has a symmetry group G. Various differential equations determine the vibration of a molecule, and the symmetry group of the molecule acts on the space of solutions of these equations. In this paper we use CH{sub 4} (methane) molecule, which has four hydrogen atoms at the corners of a regular tetrahedron, and a carbon atom at the center of the tetrahedron. The four hydrogen atoms in CH{sub 4} are permuted by the action of the symmetry group and this action fixes the carbon atom. At each of the 5 vertices, we assign three unit vectors, called the standard basis vectors in directions of the three edges which are joined to the vertex. The symmetry group G of the molecules permutes the 15 standard basis vectors, so we may regard Q{sup 15} as a GG By expressing Q{sup 15} as a direct sum of irreducible GG-modules, the problem of finding the normal modes of vibration is reduced to that of computing the eigenvectors of some small matrices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

LieART 2.0 – A Mathematica application for Lie Algebras and Representation Theory

In this paper, we present LieART 2.0 which contains substantial extensions to the Mathematica application LieART (Lie Algebras and Representation Theory) for computations frequently encountered in Lie algebras and representation theory, such as tensor product decomposition and subalgebra branching of irreducible representations. The basic procedure is unchanged—it computes root systems of Lie algebras, weight systems and several other properties of irreducible representations, but new features and procedures have been included to allow the extensions to be seamless. The new version of LieART continues to be user friendly. New extended tables of properties, tensor products and branching rules of irreducible representations are included in the supplementary material for use without Mathematica software. LieART 2.0 now includes the branching rules to special subalgebras for all classical and exceptional Lie algebras up to and including rank 15.

97 MATHEMATICS AND COMPUTING↗

Reflection Functor in the Representation Theory of Preprojective Algebras for Quivers and Integrable Systems

A brief overview of the representation theory of quivers and the associated (deformed) preprojective algebras, as well as of the theories of moduli spaces of these algebras, quiver varieties and a reflection functor, is given. It is proven that a bijection between moduli spaces (in particular, between quiver varieties), which is induced by a reflection function, is the isomorphism of symplectic affine varieties. The Hamiltonian systems on quiver varieties are defined, and the application of a reflection functor to them is described. The review of [1], concerning the case of a cyclic quiver is given, and a role of the reflection functor in this case is clarified. The “spin” integrable generalizations of Calogero-Moser systems and their application to the KP hierarchy generalizations are described.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Category of trees in representation theory of quantum algebras

New applications of categorical methods are connected with new additional structures on categories. One of such structures in representation theory of quantum algebras, the category of Kuznetsov-Smorodinsky-Vilenkin-Smirnov (KSVS) trees, is constructed, whose objects are finite rooted KSVS trees and morphisms generated by the transition from a KSVS tree to another one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evidence Theory Representations for Loss of Assured Safety in Weak Link/Strong Link Systems.

The following topics are considered in this presentation: (i) Overview of evidence theory, (ii) Representation of loss of assured safety (LOAS) with evidence theory for a 1 SL, 1 WL system, (iii) Description of 2 SLs and 1 WL used for illustration, (iv) Plausibility and belief for LOAS and associated sampling-based verification calculations for a 2 SL, 1 WL system, (iv) Plausibility and belief for margins associated with LOAS for a 2 SL, 1 WL system, (v) Plausibility and belief for LOAS for a 2 SL, 2 WL system, (vi) Incorporation of evidence spaces for link temperature curves into LOAS calculations, (vii) Plausibility and belief for LOAS for WL/SL systems with SL subsystems, and (viii) Sampling-based procedures for the estimation of plausibility and belief. 2

42 ENGINEERING↗

Evidence Theory Representations for Properties Associated With Weak Link/Strong Link Systems, Part 1: Loss of Assured Safety

The use of evidence theory in the analysis of loss of assured safety (LOAS) for weak link (WL)/strong link (SL) systems is introduced and illustrated. Furthermore, article content includes (i) an introduction to evidence theory, (ii) definition of two WLs and two SLs used for illustration, (iii) belief and plausibility for the occurrence of LOAS for a one WL/two SL system, and (iv) a sampling-based procedure for the verification of belief and plausibility calculations. The presented results can be generalized to systems with more than one WL and two SLs.

42 ENGINEERING↗

Evidence Theory Representations for Properties Associated With Weak Link/Strong Link Systems, Part 2: Failure Time and Failure Temperature

The use of evidence theory and associated cumulative plausibility functions (CPFs), cumulative belief functions (CBFs), cumulative distribution functions (CDFs), complementary cumulative plausibility functions (CCPFs), complementary cumulative belief functions (CCBFs), and complementary cumulative distribution functions (CCDFs) in the analysis of loss of assured safety (LOAS) for weak link (WL)/strong link (SL) systems is introduced and illustrated. Article content includes cumulative and complementary cumulative belief, plausibility, and probability for (i) time at which LOAS occurs for a one WL/two SL system, (ii) time at which a two-link system fails, (iii) temperature at which a two-link system fails, and (iv) temperature at which LOAS occurs for a one WL/two SL system. The presented results can be generalized to systems with more than one WL and two SLs.

42 ENGINEERING↗

Evidence Theory Representations for Properties Associated With Weak Link/Strong Link Systems, Part 3: Margins for Failure Time and Failure Temperature

The use of evidence theory and associated cumulative plausibility functions (CPFs), cumulative belief functions (CBFs), cumulative distribution functions (CDFs), complementary cumulative plausibility functions (CCPFs), complementary cumulative belief functions (CCBFs), and complementary cumulative distribution functions (CCDFs) in the analysis of time and temperature margins associated with loss of assured safety (LOAS) for one weak link (WL)/two strong link (SL) systems is illustrated. Article content includes cumulative and complementary cumulative belief, plausibility, and probability for (i) SL/WL failure time margins defined by (time at which SL failure potentially causes LOAS) – (time at which WL failure potentially prevents LOAS), (ii) SL/WL failure temperature margins defined by (the temperature at which SL failure potentially causes LOAS) – (the temperature at which WL failure potentially prevents LOAS), and (iii) SL/SL failure temperature margins defined by (the temperature at which SL failure potentially causes LOAS) – (the temperature of SL whose failure potentially causes LOAS at the time at which WL failure potentially prevents LOAS).

42 ENGINEERING↗

Optical Tomograms of Multiple-Photon-Added Gaussian States via the Intermediate State Representation Theory

Optical tomogram of a quantum state can serve as an alternative to its density matrix since it contains all the information on this state. In this paper we use the explicit expression of the intermediate state |q, f, g〉(that is, an eigenvector of the coordinate and momentum operator fQ + gP) and the Radon transform between the Wigner operator Δ(p, q) and the pure-state density operator |q, f, g〉〈q, f, g| to calculate the specific tomograms for multiple-photon-added coherent states (MPACSs), thermal states (MPATSs) and displaced thermal states (MPADTSs). Their analytical tomograms are actually the finite-summation representations related to single-variable Hermite polynomials. Besides, the numerical results indicate that the larger photon-addition number can lead to the multi-peak tomographic distributions for these three states, and the measurable tomograms of MPACSs and MPADTSs exhibit π-periodic features but MPATSs can’t.

74 ATOMIC AND MOLECULAR PHYSICS↗

Two-photon absorption cross sections within equation-of-motion coupled-cluster formalism using resolution-of-the-identity and Cholesky decomposition representations: Theory, implementation, and benchmarks

The equation-of-motion coupled-cluster (EOM-CC) methods provide a robust description of electronically excited states and their properties. Here, we present a formalism for two-photon absorption (2PA) cross sections for the equation-of-motion for excitation energies CC with single and double substitutions (EOM-CC for electronically excited states with single and double substitutions) wave functions. Rather than the response theory formulation, we employ the expectation-value approach which is commonly used within EOM-CC, configuration interaction, and algebraic diagrammatic construction frameworks. In addition to canonical implementation, we also exploit resolution-of-the-identity (RI) and Cholesky decomposition (CD) for the electron-repulsion integrals to reduce memory requirements and to increase parallel efficiency. The new methods are benchmarked against the CCSD and CC3 response theories for several small molecules. We found that the expectation-value 2PA cross sections are within 5% from the quadratic response CCSD values. The RI and CD approximations lead to small errors relative to the canonical implementation (less than 4%) while affording computational savings. RI/CD successfully address the well-known issue of large basis set requirements for 2PA cross sections calculations. The capabilities of the new code are illustrated by calculations of the 2PA cross sections for model chromophores of the photoactive yellow and green fluorescent proteins.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Machine Learning Models of Plastic Flow Based on Representation Theory

We use machine learning (ML) to infer stress and plastic flow rules using data from representative polycrystalline simulations. In particular, we use so-called deep (multilayer) neural networks (NN) to represent the two response functions. The ML process does not choose appropriate inputs or outputs, rather it is trained on selected inputs and output. Likewise, its discrimination of features is crucially connected to the chosen input-output map. Furthermore, we draw upon classical constitutive modeling to select inputs and enforce well-accepted symmetries and other properties. With these developments, we enable rapid model building in real-time with experiments, and guide data collection and feature discovery.

42 ENGINEERING↗

Quantum Hall Effect and Langlands Program

Recent advances in the Langlands program shed light on a vast area of modern mathematics from an unconventional viewpoint, including number theory, gauge theory, representation, knot theory and etc. By applying to physics, these novel perspectives endow with a unified account of the (integer/ fractional) quantum Hall effect. The plateaus of the Hall conductance are described by Hecke eigensheaves of the geometric Langlands correspondence. Especially, the particle-vortex duality, which is explained by S-duality of Chern–Simons theory, corresponds to the Langlands duality in Wilson and Hecke operators. Moreover the Langlands duality in the quantum group associated with the Hamiltonian describes fractal energy spectrum structure, know as Hofstadter’s butterfly. These results suggest that the Langlands program has many physically realistic meanings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Algebras of Projectors and Mutually Unbiased Bases in Dimension 7

We apply methods of the representation theory, combinatorial algebra, and noncommutative geometry to various problems of quantum tomography. We introduce the algebra of projectors that satisfy a certain commutation relation, examine this relation by combinatorial methods, and develop the representation theory of this algebra. We also present a geometrical interpretation of our problem and apply the results obtained to the description of the Petrescu family of mutually unbiased bases in dimension 7.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Scalar and tensor spherical harmonics expansion of the velocity correlation in homogeneous anisotropic turbulence

The representation theory of the rotation group is applied to construct a series expansion of the correlation tensor in homogeneous anisotropic turbulence. The resolution of angular dependence is the main analytical difficulty posed by anisotropic turbulence; representation theory parametrises this dependence by a tensor analogue of the standard spherical harmonics expansion of a scalar. As a result, the series expansion is formulated in terms of explicitly constructed tensor bases with scalar coefficients determined by angular moments of the correlation tensor.

97 MATHEMATICS AND COMPUTING↗

Yangian symmetries and integrability of the Dirac equation with spin symmetry

We show that a Yangian symmetry, namely, Y(su(2)), exists in the Dirac equation with spin symmetry when the potential term takes a Coulomb form. We construct the generators of Y(su(2)) explicitly and get the energy spectrum of this model from the representation theory for Y(su(2)). We also show that this model is integrable, from RTT relations. - Highlights: Black-Right-Pointing-Pointer The Y(sl(2)) symmetry is found in a model, and the generators of Y(sl(2)) are constructed from the so(4) Lie algebra. Black-Right-Pointing-Pointer The energy spectrum is derived on the basis of the representation theory for Y(sl(2)). Black-Right-Pointing-Pointer The integrability of this model is proved from the RTT relation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗