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Related papers: Optical Activity of Solids from First Principles

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We present an accurate and computationally efficient first-principles methodology to calculate the natural optical activity. Our approach is based on the long-wave density-functional perturbation theory and includes self-consistent field…

Materials Science · Physics 2023-04-04 Asier Zabalo , Massimiliano Stengel

The optical activity of oriented molecular systems is investigated using bianisotropic material constitutives for Maxwell's equations. It is shown that the circular birefringence and circular dichroism in a given direction can be…

Chemical Physics · Physics 2015-06-19 Oriol Arteaga

The basic principles of classical and semi-classical theories of molecular optical activity are discussed. These theories are valid for dilute solutions of optically active organic molecules. It is shown that all phenomena known in the…

Atomic Physics · Physics 2010-11-02 Alexei M. Frolov , David M. Wardlaw

Natural optical activity is the paradigmatic example of an effect originating in the weak spatial inhomogeneity of the electromagnetic field on the atomic scale. In molecules, such effects are well described by the multipole theory of…

Materials Science · Physics 2023-05-31 Óscar Pozo , Ivo Souza

Optical activity is ubiquitous across natural and artificial media and is conventionally understood in terms of scattering from electric and magnetic moments. Here we demonstrate experimentally and confirm numerically a type of optical…

As part of a general study of the time-dependent local density approximation (TDLDA), we here report calculations of optical activity of chiral molecules. The theory automatically satisfies sum rules and the Kramers-Kronig relation between…

Chemical Physics · Physics 2009-10-31 K. Yabana , G. F. Bertsch

We derive the current response of noncentrosymmetric metal in normal and in superconducting states to the electromagnetic field with finite frequency and wave vector. The conductivity tensor is found contains the linear in wave vector off…

Strongly Correlated Electrons · Physics 2009-03-20 V. P. Mineev , Yu Yoshioka

The optical activity tensor (OAT) is explicitly derived. It is shown that to evaluate a large number of effects related to optical activity of some atomic/molecular system at arbitrary frequency $\omega$ of the incident light, one needs to…

Atomic and Molecular Clusters · Physics 2010-10-26 Alexei M. Frolov , David M. Wardlaw

Working in the crystal-momentum representation, we calculate the optical conductivity of noncentrosymmetric insulating crystals at first order in the wave vector of light. The time-even part of this tensor describes natural optical activity…

Mesoscale and Nanoscale Physics · Physics 2010-12-30 Andrei Malashevich , Ivo Souza

In this paper we generalize the quantum mechanical model of three coupled oscillators because of its usage in the crystal optical activity. Using this model we can include the influence of all essential couplings between single oscillators…

Materials Science · Physics 2009-10-31 I. Vysin , K. Svackova

We apply a microscopic theory of polarization and magnetization to crystalline insulators at zero temperature and consider the orbital electronic contribution of the linear response to spatially varying, time-dependent electromagnetic…

Mesoscale and Nanoscale Physics · Physics 2021-11-08 Perry T. Mahon , J. E. Sipe

An analysis of orbital magnetization in band insulators is provided. It is shown that a previously proposed electronic orbital angular-momentum operator generalizes the ``modern theory of orbital magnetization'' to include non-local…

Materials Science · Physics 2023-07-12 Jacques K. Desmarais , Bernard Kirtman , Michel Rérat

We propose the existence, via analytical derivations, novel phenomenologies, and first-principles-based simulations, of a new class of materials that are not only spontaneously optically active, but also for which the sense of rotation can…

In this paper we present the revised view on the optical activity of crystals based on the model of two dumped coupled oscillators. The results are compared with the results of the same problem solved before and it is presented that the…

Materials Science · Physics 2016-08-31 I. Vysin , J. Riha

The efficiency of optical trapping of ultracold atoms depend on the atomic dynamic dipole polarizability governing the atom-field interaction. In this article, we have calculated the real and imaginary parts of the dynamic dipole…

Atomic Physics · Physics 2017-04-11 Hui Li , Jean-Francois Wyart , Olivier Dulieu , Sylvain Nascimbene , Maxence Lepers

Dipolar atoms have unique properties, making them interesting for laser cooling and quantum simulations. But, due to relatively large orbital momentum in the ground state these atoms may have large dynamic tensor and vector polarizabilities…

Atomic Physics · Physics 2019-10-09 V. V. Tsyganok , D. A. Pershin , E. T. Davletov , V. A. Khlebnikov , A. V. Akimov

The influence of solubilizing substitutional groups on the electronic and optical properties of functionalized pentacene molecules and crystals have been investigated. Density functional theory is used to calculate the electronic and…

Materials Science · Physics 2013-11-15 Y. Saeed , K. Zhao , N. Singh , R. Li , J. E. Anthony , A. Amassian , U. Schwingenschlögl

The direct transition-matrix approach to determination of the electric polarizabilities of quantum bound systems developed in my recent work is applied to study the electric multipole polarizabilities of a two-particle bound complex with a…

Nuclear Theory · Physics 2015-06-11 V. F. Kharchenko

Active optics is defined as the control of the shape and the alignment of the components of an optical system at low temporal frequencies. For modern large telescopes with flexible monolithic or segmented primary mirrors and also flexible…

Astrophysics · Physics 2007-05-23 Lothar Noethe

The scalar, vector, and tensor components of the (generalized) deuteron electric polarizability are calculated, as well as their logarithmic modifications. Several of these quantities arise in the treatment of the nuclear corrections to the…

Nuclear Theory · Physics 2014-11-18 J. L. Friar , G. L. Payne
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