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This work concerns \emph{ab initio} calculations of the complete potential energy curve and spectroscopic constants for the ground state $X^1\Sigma_g^+$ of the beryllium dimer, Be$_2$. High accuracy and reliability of the results is one of…

We provide a compendium of the quantum mechanical equations for photon emission rates, photon absorption cross sections, and photon scattering cross sections. For each case, the different equations that apply for discrete or continuous…

Quantum Physics · Physics 2022-10-25 Rainer Dick

Why does a microwave oven work? How does biological tissue absorb electromagnetic radiation? Astonishingly, we do not have a definite answer to these simple questions because the microscopic processes governing the absorption of…

Soft Condensed Matter · Physics 2017-12-20 P. Lunkenheimer , S. Emmert , R. Gulich , M. Köhler , M. Wolf , M. Schwab , A. Loidl

The ^1{\Sigma}^+ electronic ground states of MgLi^+ and CaLi^+ molecular ions are investigated for their spectroscopic constants and properties such as the dipole- and quadrupole moments, and static dipole polarizabilities. The quadrupole…

Atomic Physics · Physics 2018-08-24 Renu Bala , H. S. Nataraj , Minori Abe , Masatoshi kajita

The vibrational branching ratios of SrOH for radiative decay to the ground electronic state, $X^{2}\Sigma^{+}$, from the first two electronically excited states, $A^{2}\Pi$ and $B^{2}\Sigma^{+}$, are determined experimentally at the…

Atomic Physics · Physics 2022-08-17 Zack Lasner , Annika Lunstad , Chaoqun Zhang , Lan Cheng , John M. Doyle

Is it possible to infer the time evolving quantum state of a multichromophoric system from a sequence of two-dimensional electronic spectra (2D-ES) as a function of waiting time? Here we provide a positive answer for a tractable model…

Quantum Physics · Physics 2015-05-27 Joel Yuen-Zhou , Alán Aspuru-Guzik

In this article, the processes of energy absorption and coherent transfer in a dimer is studied. The dimer includes two two-level pigments --- donor and acceptor, where donor is assumed being excited by a control pulse in the time domain.…

Quantum Physics · Physics 2013-06-24 Hong-rong Li , Pei Zhang , Yingjun Liu , Fu-li Li , Shi-yao Zhu

Molecular laser cooling and trapping requires addressing all spontaneous decays to excited vibrational states that occur at the $\gtrsim 10^{-4} - 10^{-5}$ level, which is accomplished by driving repumping transitions out of these states.…

Atomic Physics · Physics 2023-06-06 Nickolas H. Pilgram , Arian Jadbabaie , Chandler J. Conn , Nicholas R. Hutzler

Using time-resolved infrared-vacuum-ultraviolet double-resonance spectroscopy, experimental room temperature measurements of state-to-state rate coefficients for rotational energy transfer within the X $^1\Sigma^+(v=2)$ vibrational state of…

Quantum Physics · Physics 2026-03-10 Hamza Labiad , Alexandre Faure , Ian R. Sims

Total cross sections for electron capture are calculated for collisions of fast protons and alpha-particles with atomic hydrogen. The distorted- wave impulse approximation is applied over the energy range 10-1500 keV/u. State-selective…

Atomic Physics · Physics 2008-02-03 Y. H. Ng , J. F. McCann

We use linear response theory in order to compute the light absorption spectrum, in the terahertz band, of a polariton system composed by excitons in a quantum dot very strongly coupled to the lowest photon mode of a thin micropillar. In a…

Mesoscale and Nanoscale Physics · Physics 2013-10-08 Carlos Andres Vera-Ciro , Alain Delgado , Augusto Gonzalez

The choice of Gaussian basis functions for computing the ground-state properties of molecules, and clusters, employing wave-function-based electron-correlated approaches, is a well-studied subject. However, the same cannot be said when it…

Chemical Physics · Physics 2023-01-09 Vikram Mahamiya , Pritam Bhattacharyya , Alok Shukla

In the first section we present the atomic part where a C2+ atomic target was prepared and used to generate theoretical data to investigate recombination lines arising from electron-ion collisions in thin plasma. R-matrix method was used to…

Atomic Physics · Physics 2012-11-07 Taha Sochi

Multichannel quantum defect theory is applied in the treatment of the dissociative recombination and vibrational excitation processes for the BeD$^+$ ion in the twenty four vibrational levels of its ground electronic state…

We calculate the x-ray absorption spectra of liquid water at ambient conditions and of hexagonal ice close to melting, using a static GW approach that includes approximately local field effects. Quantum dynamics of the nuclei is taken into…

Chemical Physics · Physics 2015-06-04 Lingzhu Kong , Xifan Wu , Roberto Car

Accurate and complete rotational, rotational-vibrational and rotational-vibrational-electronic line lists are calculated for sodium hydride: both the NaH and NaD isotopologues are considered. These line lists cover all ro-vibrational states…

Astrophysics of Galaxies · Physics 2015-06-02 Tom Rivlin , Lorenzo Lodi , Sergei N. Yurchenko , Jonathan Tennyson , Robert J. Le Roy

The vibrational branching ratios from the lowest excited electronic state for $\textrm{SrOCH}_3$, $\textrm{SrNH}_2$, and $\textrm{SrSH}$ are measured at the $< 0.1\%$ level. Spectra are obtained by driving the $\tilde{X} - \tilde{A}$…

Atomic Physics · Physics 2025-10-07 Alexander Frenett , Zack Lasner , Lan Cheng , John M. Doyle

We analyze the qualitative features in the transition spectra of a model superconductor with multiple energy gaps, using a simple extension of the Mattis-Bardeen expression for probes with case I and case II coherence factors. At…

Superconductivity · Physics 2009-11-07 Sergey V. Barabash , David Stroud

An ab initio theory is devised for the x-ray photoabsorption cross section of atoms in the field of a moderately intense optical laser (800nm, 10^13 W/cm^2). The laser dresses the core-excited atomic states, which introduces a dependence of…

Atomic Physics · Physics 2013-03-25 Christian Buth , Robin Santra

The rate of photon absorption in warm dense matter (WDM) induced by free-free electron-ion collisions is derived from Sommerfeld's cross-section for non-relativistic bremsstrahlung emission, making use of detailed balance relations. Warm…

Plasma Physics · Physics 2020-01-08 Jürgen Meyer-ter-Vehn , Rafael Ramis