Pub Date : 2024-09-11DOI: 10.1134/S0030400X24040040
N. K. Dulaev, I. I. Tupitsyn, D. P. Usov, A. M. Ryzhkov, V. M. Shabaev
A non-empirical relativistic calculation of the potential energy curve of the ground X1Σ+ state of the carbon monoxide (CO) molecule in the internuclear distances range RAB ∈ [0.5, 30.0] a.u. is performed. The calculation is carried out by the multireference configuration-interaction method in the basis of the Dirac–Fock–Sturm orbitals. For the entire specified range of distances, multi-electron quantum-electrodynamic corrections to the CO energy are calculated by the method of the model Lamb shift operator. The contributions of the quantum electrodynamic corrections to the value of the equilibrium internuclear distance (R_{{AB}}^{e}), the dissociation energy De and the vibrational constant ωe of the CO molecule are obtained.
摘要 对一氧化碳(CO)分子在核间距 RAB ∈ [0.5, 30.0] a.u. 范围内的基态 X 1Σ+ 的势能曲线进行了非经验相对论计算。计算以 Dirac-Fock-Sturm 轨道为基础,采用多参量构型相互作用方法进行。在整个指定的距离范围内,通过模型 Lamb 移动算子的方法计算了 CO 能量的多电子量子电动力学修正。得到了量子电动力学修正对 CO 分子的平衡核间距 (R_{{AB}}^{e})、解离能 De 和振动常数 ωe 值的贡献。
{"title":"Relativistic Calculations of the Potential Energy Curve and QED-Corrections for the Ground State of the CO Molecule","authors":"N. K. Dulaev, I. I. Tupitsyn, D. P. Usov, A. M. Ryzhkov, V. M. Shabaev","doi":"10.1134/S0030400X24040040","DOIUrl":"10.1134/S0030400X24040040","url":null,"abstract":"<p>A non-empirical relativistic calculation of the potential energy curve of the ground <i>X</i> <sup>1</sup>Σ<sup>+</sup> state of the carbon monoxide (CO) molecule in the internuclear distances range <i>R</i><sub><i>AB</i></sub> ∈ [0.5, 30.0] a.u. is performed. The calculation is carried out by the multireference configuration-interaction method in the basis of the Dirac–Fock–Sturm orbitals. For the entire specified range of distances, multi-electron quantum-electrodynamic corrections to the CO energy are calculated by the method of the model Lamb shift operator. The contributions of the quantum electrodynamic corrections to the value of the equilibrium internuclear distance <span>(R_{{AB}}^{e})</span>, the dissociation energy <i>D</i><sub><i>e</i></sub> and the vibrational constant ω<sub><i>e</i></sub> of the CO molecule are obtained.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"339 - 344"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24040076
O. V. Gromova, E. S. Bekhtereva, A. N. Kakaulin, O. N. Ulenikov
A new effective dipole moment model for the (XY2 symmetry) molecule in a doublet electronic state is derived that includes (as special cases) all currently known models of effective dipole moment for such type molecules, and allows, at the same time, to take into account an influence of spin-rotation interactions on the effective dipole moment operator which were not taken into account in the preceding studies.
{"title":"Improved Model of the Effective Dipole Moments and Absolute Ro-Vibrational Line Strengths of the XY2 Asymmetric Top Molecules in the X 2B1 Doublet Electronic States","authors":"O. V. Gromova, E. S. Bekhtereva, A. N. Kakaulin, O. N. Ulenikov","doi":"10.1134/S0030400X24040076","DOIUrl":"10.1134/S0030400X24040076","url":null,"abstract":"<p>A new effective dipole moment model for the (XY<sub>2</sub> symmetry) molecule in a doublet electronic state is derived that includes (as special cases) all currently known models of effective dipole moment for such type molecules, and allows, at the same time, to take into account an influence of spin-rotation interactions on the effective dipole moment operator which were not taken into account in the preceding studies.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"357 - 364"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24040131
E. V. Pronina, M. A. Kremennaya, V. Yu. Lysenko, G. E. Yalovega
The contributions of additional Fe-binding sites and heme iron to the experimental spectrum of urea-influenced hemoglobin were evaluated based on theoretical analysis of X-ray absorption spectra. The theoretical Fe K-edge X-ray absorption spectra were calculated for structural models of the supposed additional Fe binding sites and heme. Linear combination fit of theoretical spectra showed that in treated hemoglobin iron ions are more likely to be in the additional Fe-binding sites, which is surrounded by the following amino acids: cysteine-93, histidine-146, and asparagine-94 (Cys93, His 146, Asp 94).
摘要 根据对 X 射线吸收光谱的理论分析,评估了额外的铁结合位点和血红素铁对尿素影响血红蛋白实验光谱的贡献。根据假定的额外铁结合位点和血红素的结构模型计算了铁 K 边 X 射线吸收光谱。理论光谱的线性组合拟合结果表明,在处理过的血红蛋白中,铁离子更有可能位于额外的铁结合位点,该位点被以下氨基酸包围:半胱氨酸-93、组氨酸-146 和天冬酰胺-94(Cys93、His 146、Asp 94)。
{"title":"Additional Iron Ions Binding Sites in Hemoglobin: XANES Modeling","authors":"E. V. Pronina, M. A. Kremennaya, V. Yu. Lysenko, G. E. Yalovega","doi":"10.1134/S0030400X24040131","DOIUrl":"10.1134/S0030400X24040131","url":null,"abstract":"<p>The contributions of additional Fe-binding sites and heme iron to the experimental spectrum of urea-influenced hemoglobin were evaluated based on theoretical analysis of X-ray absorption spectra. The theoretical Fe <i>K</i>-edge X-ray absorption spectra were calculated for structural models of the supposed additional Fe binding sites and heme. Linear combination fit of theoretical spectra showed that in treated hemoglobin iron ions are more likely to be in the additional Fe-binding sites, which is surrounded by the following amino acids: cysteine-93, histidine-146, and asparagine-94 (Cys93, His 146, Asp 94).</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"399 - 402"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24030019
A. M. Astafiev, A. M. Altmark, N. A. Lesiv, A. S. Chirtsov
A system for microwave diagnostics of low-temperature non-stationary atmospheric plasma jets is proposed, the principle of operation of which is based on the registration of changing in the quality factor of the main mode of the electric type of a cylindrical microwave cavity resonator. The time dependences of the average volumetric conductivity of a plasma jet of a barrier discharge in a helium flow are measured. The discharge was powered from an alternating voltage source with a frequency of 9 kHz. Such a low frequency of the supply voltage made it possible to distinguish individual pulses of breakdowns of the barrier discharge.
{"title":"Microwave Diagnostic Complex for Cold Atmospheric Plasma Jets","authors":"A. M. Astafiev, A. M. Altmark, N. A. Lesiv, A. S. Chirtsov","doi":"10.1134/S0030400X24030019","DOIUrl":"10.1134/S0030400X24030019","url":null,"abstract":"<p>A system for microwave diagnostics of low-temperature non-stationary atmospheric plasma jets is proposed, the principle of operation of which is based on the registration of changing in the quality factor of the main mode of the electric type of a cylindrical microwave cavity resonator. The time dependences of the average volumetric conductivity of a plasma jet of a barrier discharge in a helium flow are measured. The discharge was powered from an alternating voltage source with a frequency of 9 kHz. Such a low frequency of the supply voltage made it possible to distinguish individual pulses of breakdowns of the barrier discharge.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"203 - 206"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24030196
E. R. Zinatullin, S. B. Korolev, T. Yu. Golubeva
The paper considers a strategy to decrease the error of the two-mode entanglement transformation Controlled-Z by introducing non-Gaussian nodes in the cluster. Non-Gaussian nodes are obtained by using a cubic phase gate. We have shown that this strategy can significantly decrease the transformation error. The considered implementation of the Controlled-Z operation contains a teleportation scheme with the cubic phase gate. We have shown that the correct selection of phases during measurement allows for lower errors than in the initial teleportation protocol with the cubic phase gate and the original teleportation protocol.
{"title":"Cubic Phase Gate Operation to Decrease the Error of Two-Mode Transformations","authors":"E. R. Zinatullin, S. B. Korolev, T. Yu. Golubeva","doi":"10.1134/S0030400X24030196","DOIUrl":"10.1134/S0030400X24030196","url":null,"abstract":"<p>The paper considers a strategy to decrease the error of the two-mode entanglement transformation Controlled-Z by introducing non-Gaussian nodes in the cluster. Non-Gaussian nodes are obtained by using a cubic phase gate. We have shown that this strategy can significantly decrease the transformation error. The considered implementation of the Controlled-Z operation contains a teleportation scheme with the cubic phase gate. We have shown that the correct selection of phases during measurement allows for lower errors than in the initial teleportation protocol with the cubic phase gate and the original teleportation protocol.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"310 - 320"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X2403010X
A. N. Hopersky, A. M. Nadolinsky, R. V. Koneev
The analytical structure, absolute values and angular anisotropy of the triple differential cross section of elastic photon–photon scattering in the field of a multicharged neon-like atomic ion are theoretically predicted.
{"title":"Photon–Photon Scattering in the Atomic Ion Field","authors":"A. N. Hopersky, A. M. Nadolinsky, R. V. Koneev","doi":"10.1134/S0030400X2403010X","DOIUrl":"10.1134/S0030400X2403010X","url":null,"abstract":"<p>The analytical structure, absolute values and angular anisotropy of the triple differential cross section of elastic photon–photon scattering in the field of a multicharged neon-like atomic ion are theoretically predicted.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"257 - 261"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24030184
E. V. Timchenko, P. E. Timchenko, A. V. Lyamin, I. V. Bazhutova, O. O. Frolov, L. T. Volova, A. V. Zotova, S. S. Ivanov
The combination scattering spectroscopy method investigated strains of the epidermal staphylococcus with hemolytic activity and without hemolytic activity. The main spectral differences of the studied groups are established. Complex analysis was used to estimate hemolytic activity using combined scattering (SR) spectroscopy and mathematical approaches.
{"title":"Spectral Analysis of Epidermal Staphylococcus with Hemolytic Activity Isolated with Mucosa Oral Cavity in Patients with Periodontitis","authors":"E. V. Timchenko, P. E. Timchenko, A. V. Lyamin, I. V. Bazhutova, O. O. Frolov, L. T. Volova, A. V. Zotova, S. S. Ivanov","doi":"10.1134/S0030400X24030184","DOIUrl":"10.1134/S0030400X24030184","url":null,"abstract":"<p>The combination scattering spectroscopy method investigated strains of the epidermal staphylococcus with hemolytic activity and without hemolytic activity. The main spectral differences of the studied groups are established. Complex analysis was used to estimate hemolytic activity using combined scattering (SR) spectroscopy and mathematical approaches.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"307 - 309"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142227019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X2404012X
A. I. Miskevich
A decrease in the gain of the active medium of a nuclear-pumped excimer laser has been experimentally discovered at the B–X- and C–A-transitions of the XeCl* molecule (308, 352 nm), when the Ar‒Xe–CCl4 medium is pumped with mixed gamma-neutron radiation nuclear reactor. The effect is due to the quenching effect of secondary electrons formed in the active medium of an excimer laser under the influence of instantaneous gamma radiation. The effect increases significantly with increasing gamma radiation flux density, and the loss coefficient can reach values of ~10–2–2 × 10–2 cm–1.
{"title":"Generation and Quenching in the XeCl* Excimer Laser Pumped by Mixed Gamma-Neutron Radiation from a Nuclear Reactor","authors":"A. I. Miskevich","doi":"10.1134/S0030400X2404012X","DOIUrl":"10.1134/S0030400X2404012X","url":null,"abstract":"<p>A decrease in the gain of the active medium of a nuclear-pumped excimer laser has been experimentally discovered at the B–X- and C–A-transitions of the XeCl* molecule (308, 352 nm), when the Ar‒Xe–CCl<sub>4</sub> medium is pumped with mixed gamma-neutron radiation nuclear reactor. The effect is due to the quenching effect of secondary electrons formed in the active medium of an excimer laser under the influence of instantaneous gamma radiation. The effect increases significantly with increasing gamma radiation flux density, and the loss coefficient can reach values of ~10<sup>–2</sup>–2 × 10<sup>–2</sup> cm<sup>–1</sup>.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 4","pages":"391 - 398"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142227022","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.1134/S0030400X24030020
E. N. Bashmakova, E. A. Vashukevich, T. Yu. Golubeva
To date, two-qubit quantum logic gates have become an essential part of quantum computing. The study of methods for their implementation is an important practical problem for various quantum optical and information applications. In this paper, we have considered a protocol for multimode quantum non-demolition interaction between an atomic ensemble and multimode light with orbital angular momentum in order to analyze the applicability of this protocol in discrete variables computing. We have developed a multimode interaction Hamiltonian and analyzed the dynamics of field and atomic variables depending on the structure of the driving field. We discuss in detail the procedure for separating qubit noninteracting subsystems on a set of atomic and field modes for various values of the orbital angular momentum of the driving field. Such a procedure helps to reduce the considered protocol to the parallel evolution of two-qubit closed systems.
{"title":"Parallel Multi-Qubit Evolution in the Quantum Non-Demolition Interaction Protocol","authors":"E. N. Bashmakova, E. A. Vashukevich, T. Yu. Golubeva","doi":"10.1134/S0030400X24030020","DOIUrl":"10.1134/S0030400X24030020","url":null,"abstract":"<p>To date, two-qubit quantum logic gates have become an essential part of quantum computing. The study of methods for their implementation is an important practical problem for various quantum optical and information applications. In this paper, we have considered a protocol for multimode quantum non-demolition interaction between an atomic ensemble and multimode light with orbital angular momentum in order to analyze the applicability of this protocol in discrete variables computing. We have developed a multimode interaction Hamiltonian and analyzed the dynamics of field and atomic variables depending on the structure of the driving field. We discuss in detail the procedure for separating qubit noninteracting subsystems on a set of atomic and field modes for various values of the orbital angular momentum of the driving field. Such a procedure helps to reduce the considered protocol to the parallel evolution of two-qubit closed systems.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 3","pages":"207 - 215"},"PeriodicalIF":0.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-11DOI: 10.1134/S0030400X24700383
M. S. Nikitin, G. S. Makeeva
The characteristics of a plasmonic graphene patch antenna of rectangular geometry have been simulated in the CST Microwave Studio 2023 software package. It has been shown that the antenna unique property is an electrically controlled multi-band operation (terahertz (THz) and far infrared (IR) ranges) and changing the radiation pattern (RP) toroidal shape to the multi-beam.
摘要 在 CST Microwave Studio 2023 软件包中模拟了矩形几何形状的等离子体石墨烯贴片天线的特性。结果表明,该天线的独特特性是可电控多波段工作(太赫兹(THz)和远红外(IR)范围),并可将辐射图案(RP)的环形形状改变为多波束。
{"title":"Multi-Band Electrically Controlled Graphene Patch Antenna of the Terahertz and Far-Infrared Ranges","authors":"M. S. Nikitin, G. S. Makeeva","doi":"10.1134/S0030400X24700383","DOIUrl":"10.1134/S0030400X24700383","url":null,"abstract":"<p>The characteristics of a plasmonic graphene patch antenna of rectangular geometry have been simulated in the CST Microwave Studio 2023 software package. It has been shown that the antenna unique property is an electrically controlled multi-band operation (terahertz (THz) and far infrared (IR) ranges) and changing the radiation pattern (RP) toroidal shape to the multi-beam.</p>","PeriodicalId":723,"journal":{"name":"Optics and Spectroscopy","volume":"132 5","pages":"435 - 437"},"PeriodicalIF":0.8,"publicationDate":"2024-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}