We consider the autocorrelation function technique for obtaining excitation spectra for indistinguishable particles. The interacting particles are described by coherent superpositions of configurations built from time-dependent spin-orbitals. The fermionic or bosonic character of the particles is taken into account by considering Slater determinants or permanents, respectively. The approach involves the calculation of overlaps between nonorthonormal Slater determinants for fermions and permanents for bosons. Efficient methods already exist for fermions. In the case of bosons, the evaluation of permanents generally scales exponentially with system size. We present an efficient approach for bosons for calculating the excitation spectrum, which circumvents this scaling. The approach is illustrated and validated by comparison with an analytical model for interacting bosons, for a system with a number of bosons so large that the autocorrelation technique could not be applied without the present development.
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http://dx.doi.org/10.1063/1.5095991 | DOI Listing |
The GSAG:Ce scintillator represents a promising and cost-effective alternative to the expensive GGAG:Ce. Recent studies have attributed its low light yield to the thermal quenching effect. In this study, we employed the strategy of adding an yttrium (Y) admixture to the GSAG matrix to increase the thermal activation energy of thermal quenching.
View Article and Find Full Text PDFSe Pu
February 2025
CAS Key Laboratory of Separation Sciences for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
Chemical modifications are widely used in research fields such as quantitative proteomics and interaction analyses. Chemical-modification targets can be roughly divided into four categories, including those that integrate isotope labels for quantification purposes, probe the structures of proteins through covalent labeling or cross-linking, incorporate labels to improve the ionization or dissociation of characteristic peptides in complex mixtures, and affinity-enrich various poorly abundant protein translational modifications (PTMs). A chemical modification reaction needs to be simple and efficient for use in proteomics analysis, and should be performed without any complicated process for preparing the labeling reagent.
View Article and Find Full Text PDFNMR Biomed
March 2025
Department of Radiology, Perelman School of Medicine, University of Pennsylvania, Philadelphia, Pennsylvania, USA.
The purpose of this study was to measure T and T relaxation times of NAD proton resonances in the downfield H MRS spectrum in human brain at 7 T in vivo and to assess the propagation of relaxation time uncertainty in NAD quantification. Downfield spectra from eight healthy volunteers were acquired at multiple echo times to measure T relaxation times, and saturation recovery data were acquired to measure T relaxation times. The downfield acquisition used a spectrally selective 90° sinc pulse for excitation centered at 9.
View Article and Find Full Text PDFPhotochem Photobiol Sci
January 2025
CQC-IMS, Department of Chemistry, University of Coimbra, 3004-535, Coimbra, Portugal.
Solvatochromism exhibited by azobenzene-4-sulfonyl chloride (here abbreviated as Azo-SCl) has been investigated in a series of non-polar, polar-aprotic and polar-protic solvents. The UV-vis spectra of Azo-SCl exhibit two long-wavelength bands, observed at 321-330 nm (band-I) and 435-461 nm (band-II), which are ascribed to the π*-π (S ← S) and π*-n (S ← S) transitions, respectively. The shorter wavelength band indicates a reversal in solvatochromism, from negative to positive solvatochromism, for a solvent with a dielectric constant of 32.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Department of Applied Chemistry, Graduate School of Science and Engineering, Doshisha University, Kyotanabe, Kyoyo 610-0321, Japan.
Excited-state proton transfer (ESPT) reactions of 5-cyano-2-naphthol (5CN2) and 5,8-dicyano-2-naphthol (DCN2) were investigated in protic ionic liquids (PILs) composed of quaternary ammonium (NH) ( = 2, 4, or 8) and hexanoate (CHCOO) using time-resolved fluorescence spectroscopy. The effects of the number of alkyl carbons in the cation and the basicity of the anion on the reaction yield and dynamics were examined. In a series of [NH][CHCOO], fluorescence from the hydrogen-bonding complex (AHBX) of a proton-dissociated form (RO) with a solvent acid in the electronic excited state was observed between the fluorescence bands of an acidic form (ROH) and an anionic form (RO) as in the case of [NH][CFCOO] (Fujii et al.
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