This paper explains the systematics of the generation of families of spectra for the -symmetric quantum-mechanical Hamiltonians H=p(2)+x(2)(ix)(ε), H=p(2)+(x(2))(δ) and H=p(2)-(x(2))(μ). In addition, it contrasts the results obtained with those found for a bosonic scalar field theory, in particular in one dimension, highlighting the similarities to and differences from the quantum-mechanical case. It is shown that the number of families of spectra can be deduced from the number of non-contiguous pairs of Stokes wedges that display PT symmetry. To do so, simple arguments that use the Wentzel-Kramers-Brillouin approximation are used, and these imply that the eigenvalues are real. However, definitive results are in most cases presently only obtainable numerically, and not all eigenvalues in each family may be real. Within the approximations used, it is illustrated that the difference between the quantum-mechanical and the field-theoretical cases lies in the number of accessible regions in which the eigenfunctions decay exponentially. This paper reviews and implements well-known techniques in complex analysis and PT-symmetric quantum theory.
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http://dx.doi.org/10.1098/rsta.2012.0049 | DOI Listing |
BMC Ecol Evol
January 2025
National Centre for Biological Sciences, Tata Institute of Fundamental Research, GKVK Campus, Bellary Road, Bengaluru, 560065, India.
Background: Trait variation is shaped by functional roles of traits and the strength and direction of selection acting on the traits. We hypothesized that in butterflies, sexually selected colouration is more variable owing to condition-dependent nature and directional selection on sexual ornaments, whereas naturally selected colouration may be less variable because of stabilising selection. We measured reflectance spectra, and extracted colour parameters, to compare the amount of variation in sexually versus naturally selected colour patches across wing surfaces and sexes of 20 butterfly species across 4 families (Nymphalidae, Papilionidae, Pieridae, Lycaenidae).
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Southern Methodist University, Dallas, Texas 75275, USA.
Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between numerical accuracy and computational cost due to the size of the basis set is a major challenge, since molecular orbitals undergo extreme relaxation in the core-hole state. To gain clarity on the changes in electronic structure induced by the formation of a core-hole, the use of sufficiently flexible basis for expanding the orbitals, particularly for the core region, has been shown to be essential.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Physics, Yantai University, Yantai 264005, China.
Vibronic coupling and multiple electronic states effect play a pivotal role in the molecular spectroscopy of large systems. Herein, we present a detailed theoretical study on the absorption (ABS) and electronic circular dichroism (ECD) spectra of three [7]helicene derivatives in chloroform, with a particular emphasis on the significance of vibronic coupling and the multiple electronic states effect in spectral simulations. The vertical gradient (VG) and vertical Hessian (VH) models, incorporating the Franck-Condon (FC) effect and Herzberg-Teller (HT) contribution, are considered in the vibronic calculations.
View Article and Find Full Text PDFNPJ Sci Food
January 2025
Department of Family and Consumer Science, New Mexico State University, Las Cruces, NM, USA.
This study investigated the effect of fermentation durations (24,48 and 72 h) on the microstructure and nutritional quality of acha flour and resultant cookies. Results showed that there were significant differences (p < 0.05) in the functional and pasting properties of the flour and cookies samples.
View Article and Find Full Text PDFNat Commun
January 2025
Institute for Research in Immunology and Cancer (IRIC), Université de Montréal, Montréal, QC, H3T 1J4, Canada.
Intense research on founding members of the RAS superfamily has defined our understanding of these critical signalling proteins, leading to the premise that small GTPases function as molecular switches dependent on differential nucleotide loading. The closest homologs of H/K/NRAS are the three-member RRAS family, and interest in the MRAS GTPase as a regulator of MAPK activity has recently intensified. We show here that MRAS does not function as a classical switch and is unable to exchange GDP-to-GTP in solution or when tethered to a lipid bilayer.
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