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Related papers: Frequency-dependent ab initio Resonance Raman Spec…

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We study scattering resonances of finite one-dimensional systems of high-contrast resonators beyond the subwavelength regime. Introducing a novel tridiagonal frequency-dependent capacitance matrix, we derive quantitative asymptotic…

Analysis of PDEs · Mathematics 2026-04-02 Habib Ammari , Bowen Li , Ping Liu , Yingjie Shao

Raman spectroscopy uses light scattering to extract information on low-energy excitations of solids. The Raman process is described by diagrams which are fourth order in the light-matter interaction, and in particular the resonant…

Strongly Correlated Electrons · Physics 2024-01-30 Philipp Werner , Martin Eckstein , Naoto Tsuji

This paper presents a boundary element method (BEM) for computing the energy transmittance of a singly-periodic grating in 2D for a wide frequency band, which is of engineering interest in various fields with possible applications to…

Numerical Analysis · Mathematics 2023-05-16 Yuta Honshuku , Hiroshi Isakari

Raman spectroscopy is a widely used, powerful, and nondestructive tool for studying the vibrational properties of bulk and low-dimensional materials. Raman spectra can be simulated using first-principles methods, but due to the high…

Materials Science · Physics 2019-03-06 Arsalan Hashemi , Arkady V. Krasheninnikov , Martti Puska , Hannu-Pekka Komsa

We present a practical method to compute the vibrational resonant Raman spectra in solids with delocalized excitations. We apply this approach to the study of tetrahedrous amorphous carbon. We determine the vibrational eigenmodes and…

Materials Science · Physics 2009-11-07 Mickael Profeta , Francesco Mauri

A new method for examining the possible space-time variation of the fine structure constant ($\alpha$) is proposed. The technique uses a relatively simple measurement with an optical resonator to compare atom-stabilized optical frequency…

Atomic Physics · Physics 2007-05-23 J. R. Torgerson

Raman spectroscopy of crystalline/molecular systems is well backed with quantum chemical calculations and group theory, making it a unique characterization tool. For the "intermediate" case of nanoscale systems, however, the use of Raman…

Chemical Physics · Physics 2017-04-07 Vitaly I. Korepanov , Hiro-o Hamaguchi

Raman spectroscopy stands as a cornerstone technique for probing collective excitations and emergent quantum phases in solids. While polarization-resolved Raman scattering has been widely used to extract symmetry information of eigenmodes,…

Materials Science · Physics 2026-02-24 Di Cheng , Junxiang Li , Shizhuo Luo , Zehao Chen , Xinwei Li

We present a methodology for computing vibrationally and time-resolved pump-probe spectra, which takes into account all vibrational degrees of freedom and is based on the combination of the thawed Gaussian approximation with on-the-fly ab…

Chemical Physics · Physics 2019-01-31 Tomislav Begušić , Julien Roulet , Jiří Vaníček

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these…

Materials Science · Physics 2024-05-08 Lorenzo Bastonero , Nicola Marzari

We present and evaluate an efficient method for simulating Raman spectra from molecular dynamics (MD) calculations {\it without} defining normal modes. We apply the method to high pressure hydrogen in the high-temperature "Phase IV": a…

Materials Science · Physics 2014-08-19 G. J. Ackland , I. B. Magdau

We propose and analyse a hybrid numerical-asymptotic $hp$ boundary element method for time-harmonic scattering of an incident plane wave by an arbitrary collinear array of sound-soft two-dimensional screens. Our method uses an approximation…

Numerical Analysis · Mathematics 2014-08-12 David P. Hewett , Stephen Langdon , Simon N. Chandler-Wilde

We present a first-principles method to compute radiation properties of ultra-high quality factor photonic crystal cavities. Our Frequency-domain Approach for Radiation (FAR) can compute the far-field radiation pattern and quality factor of…

Raman spectroscopy has attracted interest as a non-invasive optical technique to study the composition and structure of a wide range of materials at the microscopic level. The intrinsic fluorescence background can be orders of magnitude…

Materials Science · Physics 2015-10-28 P. J. Cadusch , M. M. Hlaing , S. A. Wade , S. L. McArthur , P. R. Stoddart

Quantum-mechanical ab initio calculations are performed to elucidate the vibrational spectroscopic features of a common irradiation-induced defect in diamond, i.e. the neutral vacancy. Raman spectra are computed analytically through a…

Materials Science · Physics 2016-08-31 J. Baima , A. Zelferino , P. Olivero , A. Erba , R. Dovesi

We have observed multi-photon resonances in a system with a spin 3/2 irradiated simultaneously by a multiple pulse radiofrequency sequence and a low frequency field swept in the range 0-80 kHz. The used excitation scheme allowed us to…

Materials Science · Physics 2015-06-24 G. B. Furman , G. E Kibrik , A. Yu. Polyakov

Raman spectroscopy is a powerful tool for material characterization. However, careful preprocessing is required for the identification and handling of noise, baseline drift, and random spikes. This paper presents a comprehensive approach to…

The eigenvalue spectrum of the fractional quantum harmonic oscillator is calculated numerically solving the fractional Schr\"odinger equation based on the Riemann and Caputo definition of a fractional derivative. The fractional approach…

General Physics · Physics 2015-03-20 Richard Herrmann

The small cross section of Raman scattering poses a great challenge for its direct study at the single-molecule level. By exploiting the high Franck-Condon factor of a common-mode resonance, choosing a large vibrational frequency difference…

We propose a method to observe phase-dependent spectra in resonance fluorescence, employing a two-level atom driven by a strong coherent field and a weak, amplitude-fluctuating field. The spectra are similar to those which occur in a…

Quantum Physics · Physics 2009-10-31 Peng Zhou , S. Swain