Journal of Atomic, Molecular, Condensate and Nano Physics最新文献

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Experimental and Theoretical Study of the 5s(^2)5p(^3) and 5s(^5)p(^4) Configurations in Sb-like Cerium 类sb铈中5s (^2) 5p (^3)和5s (^5) p (^4)构型的实验与理论研究
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2019-08-02 DOI: 10.26713/JAMCNP.V6I2.1267
A. Wajid, S. Jabeen
{"title":"Experimental and Theoretical Study of the 5s(^2)5p(^3) and 5s(^5)p(^4) Configurations in Sb-like Cerium","authors":"A. Wajid, S. Jabeen","doi":"10.26713/JAMCNP.V6I2.1267","DOIUrl":"https://doi.org/10.26713/JAMCNP.V6I2.1267","url":null,"abstract":"In this paper the ground and first excited configurations of Ce VIII have been studied, both experimentally and theoretically. The spectra of cerium have been photographed using a spark source on a normal incident spectrograph, equipped with a grating having the reciprocal dispersion of 1.38 A/mm in the first order. The ground configuration has been established experimentally for the first time. The GRASP2018 package has been used to calculate energy levels, wavelengths and transition rates for the 5s(^2)5p(^3) and 5s(^5)p(^4) configurations. The electron correlation effects, Breit interaction and quantum electrodynamics effects have been considered in the calculation. The experimentally established energy levels have been compared with their theoretical values.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"40 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123382050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photoionization of Ne Atom Ions in the Framework of the Modified Atomic Orbital Theory 修正原子轨道理论框架下Ne原子离子的光离
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2019-08-02 DOI: 10.26713/JAMCNP.V6I2.1251
I. Sakho
{"title":"Photoionization of Ne Atom Ions in the Framework of the Modified Atomic Orbital Theory","authors":"I. Sakho","doi":"10.26713/JAMCNP.V6I2.1251","DOIUrl":"https://doi.org/10.26713/JAMCNP.V6I2.1251","url":null,"abstract":"We report accurate resonance energies and width of the 1s2s({}^{2})p({}^{6}) n p ({}^{1})P({}^{1}) and 1s({}^{2})2s2p({}^{6}) n p ({}^{1})P({}_{1}) series of Ne neutral atom. Calculations are performed in the framework of the Modified atomic orbital theory (MAOT). Excellent agreements is obtained with high synchrotron radiation measurements of Schulz et al . [ Phys. Rev. A 54 , 3095 (1996)] and of Muller et al . [ Astrophys. J. 836 , 166 (2017)]. The high lying accurate resonance energies tabulated may be benchmarked data for interpreting spectra lines of Ne neutral atom from astrophysical objects.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"389 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121384285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Non-Equilibrium Plasma Jet at Atmospheric Pressure Powered by Tesla Coil 由特斯拉线圈驱动的非平衡大气压等离子体射流
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2019-05-25 DOI: 10.26713/JAMCNP.V6I1.1225
G. Elaragi
{"title":"Non-Equilibrium Plasma Jet at Atmospheric Pressure Powered by Tesla Coil","authors":"G. Elaragi","doi":"10.26713/JAMCNP.V6I1.1225","DOIUrl":"https://doi.org/10.26713/JAMCNP.V6I1.1225","url":null,"abstract":"The aim of this work presents the characterization of a plasma jet powered by Tesla coil. Tesla coil can be used for generation cold plasma from Dielectric Barrier Discharge (DBD). Tesla coil has been designed and constructed at Egyptian Atomic Energy Authority for multipurpose. The electrical characteristic of non-equilibrium plasma jet using rare gases (argon and helium) at atmospheric pressure has been studied. An atmospheric-pressure cold plasma jet generated by Tesla coil in a single-electrode configuration is characterized based on optical and electrical measurements.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"92 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121938187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Ab Initio Prediction of Stable Crystal Structure of Procarbazine Molecule 丙卡嗪分子稳定晶体结构的从头算预测
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2019-05-25 DOI: 10.26713/JAMCNP.V6I1.1114
R. Meenashi, P. Jayalakshmi, B. Jothi, K. Selvaraju, A. D. Stephen
{"title":"Ab Initio Prediction of Stable Crystal Structure of Procarbazine Molecule","authors":"R. Meenashi, P. Jayalakshmi, B. Jothi, K. Selvaraju, A. D. Stephen","doi":"10.26713/JAMCNP.V6I1.1114","DOIUrl":"https://doi.org/10.26713/JAMCNP.V6I1.1114","url":null,"abstract":"The crystal structure of procarbazine molecule was predicted using first principles of quantum mechanics. The gas phase optimization was carried out by density functional theory and the resulted geometric coordinates were utilized for the search of hypothetical packings which reveals the possible stable conformers under a repulsion alone potential field with minimum cell volume. The thermodynamically favor structure was resulted from the lattice energy minimization of these hypothetical structures from the using the repulsion-dispersion potential field. The stability of global minimum structure was confirmed from the hydrogen bond interactions and second derivative properties.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129977939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Exploring the Structure, Electron Density and HOMO-LUMO Studies of Tetrathiafulvalene (TTF) as Organic Superconductors: A DFT and AIM Analysis 有机超导体TTF的结构、电子密度和HOMO-LUMO研究:DFT和AIM分析
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2019-05-25 DOI: 10.26713/JAMCNP.V6I1.1196
P. Gnanamozhi, V. Pandiyan, P. Srinivasan, A. D. Stephen
{"title":"Exploring the Structure, Electron Density and HOMO-LUMO Studies of Tetrathiafulvalene (TTF) as Organic Superconductors: A DFT and AIM Analysis","authors":"P. Gnanamozhi, V. Pandiyan, P. Srinivasan, A. D. Stephen","doi":"10.26713/JAMCNP.V6I1.1196","DOIUrl":"https://doi.org/10.26713/JAMCNP.V6I1.1196","url":null,"abstract":"The Structure, Electron density and HOMO-LUMO analysis of TTF molecule was carefully evaluated by ab initio  (HF) and density functional theory (B3LYP) calculations. The optimized (HF/6-311G** and B3LYP/6-311G**, B3LYP/auf-cc-PVDZ) geometric parameters are in excellent agreement with the similar type experimental data. For both levels of calculation, the low charge accumulation have C(-)S and C(equiv)N bonds, at the bond critical point, which gives that the bond charges are highly depleted compared with all other bonds in the molecule. Further, AIM theory shows the difference of charge distribution in all bonds. The molecular conductivity (HOMO-LUMO gap) properties are solely related to the ESP of the entire system. The ionization potential gives the very good information of conductivity. These observations give an insight on this kind of super conducting material, which are useful to design navel electronic devices.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"241 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122468143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Molecular Polarizability Studies on Some Cyano-Biphenyl Series Liquid Crystals by Theoretical and Experimental Approach 一些氰基联苯系液晶分子极化率的理论与实验研究
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2019-05-25 DOI: 10.26713/JAMCNP.V6I1.1234
R. Banu, C. M. Subhan, K. Fakruddin
{"title":"Molecular Polarizability Studies on Some Cyano-Biphenyl Series Liquid Crystals by Theoretical and Experimental Approach","authors":"R. Banu, C. M. Subhan, K. Fakruddin","doi":"10.26713/JAMCNP.V6I1.1234","DOIUrl":"https://doi.org/10.26713/JAMCNP.V6I1.1234","url":null,"abstract":"The transition temperatures of Cyano-biphenyl liquid crystalline compounds, (12.CB, 7O.CB and 5O.CB) are recorded by using Differential scanning calorimeter. The transition temperatures are used to estimate molecular polarizability by theoretical approaches, i.e., by Lippincott-delta function technique and molecular vibration technique. The density and refractive indices are measured by using specially designed Pyknometer and indigenously developed spectrometer coupled with small angled prism. The molecular polarizabilities are assessed by Vuks and Neugebauer methods using experimentally obtained refractive indices and density data. The results obtained by the current techniques and their limitations are discussed.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"245 1-4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134250193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photoionization of (Rb^{2+}) Ions Using the Screening Constant by Unit Nuclear Charge Formalism 利用单位核电荷形式的筛选常数进行(Rb^{2+})离子的光离
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2019-05-25 DOI: 10.26713/JAMCNP.V6I1.1241
I. Sakho
{"title":"Photoionization of (Rb^{2+}) Ions Using the Screening Constant by Unit Nuclear Charge Formalism","authors":"I. Sakho","doi":"10.26713/JAMCNP.V6I1.1241","DOIUrl":"https://doi.org/10.26713/JAMCNP.V6I1.1241","url":null,"abstract":"We report in this paper Photoionization data of the Rb({}^{2+}) ions. Rydberg series of resonances due to (4prightarrow nd) transitions from the ({}^{2})P({}^circ_{3/2}) ground state and the ({}^{2})P({}^circ_{1/2}) metastable state of Rb({}^{2+}) converging to the (4s^24p^4) ((^1D_2)) series limit in Rb({}^{3+}) are considered. Calculations are performed in the framework of the Screening Constant by Unit Nuclear Charge (SCUNC) formalism and accurate data are tabulated up to (n=40). It is shown that the SCUNC analytical formulas reproduce with an excellent precision, recent ALS measurements of Macaluso et al. [ J. Phys. B: At. Mol. Opt. Phys. 50 (2017)]. New data are tabulated for (n = 25)-(40).","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"52 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132649007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electron and Positron Impact Ionization Cross Sections of O and Hg Atoms O和Hg原子的电子和正电子碰撞电离截面
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2018-12-30 DOI: 10.26713/JAMCNP.V5I3.1211
Manish Pindariya, A. S. Chaudhari, Foram Joshi, K. N. Joshipura, H. Kothari
{"title":"Electron and Positron Impact Ionization Cross Sections of O and Hg Atoms","authors":"Manish Pindariya, A. S. Chaudhari, Foram Joshi, K. N. Joshipura, H. Kothari","doi":"10.26713/JAMCNP.V5I3.1211","DOIUrl":"https://doi.org/10.26713/JAMCNP.V5I3.1211","url":null,"abstract":"Total ionization crosssections for O and Hg atoms have been calculated for electron and positron impact scattering. A quantum mechanical formulation originating from complex atomic spherical potential is adapted in the scattering calculations on two targets. Then we obtain total ionization cross sections and cumulative total excitation cross sections by applying variant CSP-ic method. Our calculated results are presented for impact energy starting from the first threshold of ionization and going up to about 2000 electron volts (eV). For positron-atom scattering, our total inelastic cross sections include positronium formation together with ionization and excitation channels. Because of Ps formation channel it is difficult to separate our ionization cross sections from the total inelastic cross sections. An approximate method has been applied in this regard. Electron impact studies on Hg atom are scarce in literature. Similarly positron impact ionization in relation to electronic ionization discussed presently has not been highlighted much.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123616860","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Negative Ion Binding Energies in Complex Heavy Systems 复杂重体系中的负离子结合能
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2018-12-30 DOI: 10.26713/JAMCNP.V5I3.1135
A. Msezane
{"title":"Negative Ion Binding Energies in Complex Heavy Systems","authors":"A. Msezane","doi":"10.26713/JAMCNP.V5I3.1135","DOIUrl":"https://doi.org/10.26713/JAMCNP.V5I3.1135","url":null,"abstract":"We review briefly the recent progress in the determination of accurate and reliable electron affinities (EAs) of complex heavy systems with the view of assessing the reliability of the existing measured and/or calculated EAs of these systems. We demonstrate using slow electron collisions with complex heavy systems a novel and robust approach to the determination of reliable EAs from negative ion formation. From the Regge-pole calculated elastic total cross sections (TCSs), characterized by Ramsauer-Townsend (R-T) minima, shape resonances and dramatically sharp resonances manifesting anionic formation, we extract the anionic binding energies (BEs) for the ground, metastable and excited anionic states formed during the collisions. The ground state anionic BEs located at the absolute values of the R-T minima are identified with the systems’ EAs. Results for various complex heavy systems, including fullerene molecules are compared with available measurements and calculations.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"63 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116961100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Ionization of P Atom, P(_2) and PX (X = H, C, N, O) Molecules by Electron Impact: Theoretical Studies P原子、P (_2)和PX (X = H, C, N, O)分子的电子冲击电离:理论研究
Journal of Atomic, Molecular, Condensate and Nano Physics Pub Date : 2018-12-30 DOI: 10.26713/JAMCNP.V5I3.1131
A. S. Chaudhari, Foram Joshi, Manish Pindariya, K. N. Joshipura, P. Bhowmik
{"title":"Ionization of P Atom, P(_2) and PX (X = H, C, N, O) Molecules by Electron Impact: Theoretical Studies","authors":"A. S. Chaudhari, Foram Joshi, Manish Pindariya, K. N. Joshipura, P. Bhowmik","doi":"10.26713/JAMCNP.V5I3.1131","DOIUrl":"https://doi.org/10.26713/JAMCNP.V5I3.1131","url":null,"abstract":"Being a biogenic element atomic Phosphorus is one of the significant constituents of the universe [1]. Gulick [2] found a pivotal role of phosphorus in the origin of life. The phosphoruscontaining molecules like PH, PC and PN radicals, have been observed in interstellar gas clouds [3–5] and they are proposed to be present under appropriate conditions. Phosphorous hydrides having numerous applications, are detected in cool stellar atmosphere [6] and circumstellar envelopes. Thus, the present paper addresses the electron impact processes of atomic phosphorus and its diatomic compounds. Ground and metastable states of Atomic P give rise to the probability of presence of metastable state in the atomic beam used for cross section measurement [7]. We have employed the well-known Spherical Complex Optical Potential (SCOP) formalism to calculate total inelastic cross sections. The semi-empirical CSP- ic method is used to extract total ionization cross section (Q_{ion}) from total inelastic cross section [8]. A variant CSP- ic approach is also attempted for these targets.","PeriodicalId":239838,"journal":{"name":"Journal of Atomic, Molecular, Condensate and Nano Physics","volume":"44 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134001183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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