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9th Congress on Electronic Structure: Principles and Applications (ESPA 2014) : A Conference Selection from Theoretical Chemistry Accounts / / edited by Manuel F. Ruiz-Lopez, Francisco J. Olivares del Valle
| 9th Congress on Electronic Structure: Principles and Applications (ESPA 2014) : A Conference Selection from Theoretical Chemistry Accounts / / edited by Manuel F. Ruiz-Lopez, Francisco J. Olivares del Valle |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (229 p.) |
| Disciplina | 540 |
| Collana | Highlights in theoretical chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical
Atomic structure Molecular structure Physical chemistry Theoretical and Computational Chemistry Atomic/Molecular Structure and Spectra Physical Chemistry |
| ISBN | 3-662-49221-0 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; Preface to the ESPA-2014 special issue; AMOEBA force field parameterization of the azabenzenes; 1 Introduction; 2 Computational details; 2.1 Quantum calculations; 2.2 Force field; 2.2.1 The AMOEBA formalism; 2.2.2 Details of AMOEBA calculations; 2.3 Parameterization; 2.4 Atomic multipoles; 3 Force field validation and refinement of vdW parameters; 3.1 Bonded interactions, force constants, and vibrational frequencies; 3.2 Molecular multipoles and electrostatic potential; 3.3 Intermolecular interactions; 4 Conclusions; 5 Supporting information; References
Triplet-singlet gap in structurally flexible organic diradicals1 Introduction; 2 Model systems; 2.1 Computational approach; 3 Results and discussion; 3.1 Local minima, isomers and enantiomers; 3.2 Triplet-singlet gaps; 4 Conclusions; References; Separating nuclear spin isomers using a pump-dump laser scheme; 1 Introduction; 2 Methods; 3 Results and discussion; 3.1 Pump process; 3.2 Dump process; 4 Conclusion; References; Spin delocalization in hydrogen chains described with the spin-partitioned total position-spread tensor; 1 Introduction; 2 General formalism: spin partition of TPS tensor 3 Computational details4 Results and discussions; 4.1 Equally spaced hydrogen chains; 4.2 Dimerized chains; 4.2.1 Fixed-bond dimerized hydrogen chains; 4.2.2 Homothetic dimerized hydrogen chains; 4.3 Asymptotic behavior of the longitudinal position-spread tensors; 5 Conclusions; References; Invariant time-dependent exchange perturbation theory and its application to the particles collision problem; 1 Introduction; 2 Exchange perturbation theory (EPT), time-dependent perturbation; 3 Perturbation theory to the first order; 4 Perturbation theory to the second and higher orders 5 S-scattering and T-matrix elements6 Collisions with exchange of electrons; 7 Scattering of proton by lithium atom with electron exchange; 8 Conclusions; Appendix 1; Appendix 2; Appendix 3; References; On the definition of molecular dynamic magnetizability; 1 Introduction; 2 Electromagnetic multipole moment operators and the interaction Hamiltonian; 3 Induced electric dipole moment; 4 Induced magnetic dipole moment; 5 Change of response properties and equivalence conditions in a translation of coordinates; 5.1 Magnitude of origin-shift vectors 5.2 Translation of frequency-dependent response tensors6 Variation of frequency-dependent moments in acoordinate translation; 7 Orders of magnitude; 8 Concluding remarks; References; Toward (car)borane-based molecular magnets; 1 Introduction; 1.1 The theoretical models; 1.1.1 Two magnetic sites system; 1.1.2 Three magnetic sites systems; 1.1.3 Four magnetic sites system; 2 Results and discussion; 3 Concluding remarks; References; Theoretical analysis of vibrational modes in uranyl aquo chloro complexes; 1 Introduction; 2 Computational aspects; 3 Results and discussion; 4 Conclusions References |
| Record Nr. | UNINA-9910254055303321 |
| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Accurate Calibration of Raman Systems : At the Karlsruhe Tritium Neutrino Experiment / / by Magnus Schlösser
| Accurate Calibration of Raman Systems : At the Karlsruhe Tritium Neutrino Experiment / / by Magnus Schlösser |
| Autore | Schlösser Magnus |
| Edizione | [1st ed. 2014.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2014 |
| Descrizione fisica | 1 online resource (226 p.) |
| Disciplina | 535.846 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Elementary particles (Physics)
Quantum field theory Atomic structure Molecular structure Spectroscopy Microscopy Elementary Particles, Quantum Field Theory Atomic/Molecular Structure and Spectra Spectroscopy and Microscopy |
| ISBN | 3-319-06221-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- The KATRIN Experiment -- Theory of Quantitative Raman spectroscopy -- Experimental Setup -- Calibration Based on Theoretical Intensities and Spectral Sensitivity -- Calibration Based on Accurate Gas Samples -- Comparison of Calibration Methods -- Summary and Outlook -- Appendix A Statistical Terms -- Appendix B Complete Derivation of Integration Formula for Depolarization Measurements -- Appendix C Jones Calculations for Polarization Aberrations in the Raman Collection System -- Appendix D Measurements of Polarization Aberrations in Raman Cell Windows -- Appendix D Error Estimation in Depolarization Ratio Measurements -- Appendix F Relation Between Experimental Error of Raman Intensities and Depolarization Ratios -- Appendix H Demonstration of Bootstrapping on HYDE Data -- Appendix I Publications. |
| Record Nr. | UNINA-9910300396803321 |
Schlösser Magnus
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advanced Time-Correlated Single Photon Counting Applications / / edited by Wolfgang Becker
| Advanced Time-Correlated Single Photon Counting Applications / / edited by Wolfgang Becker |
| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (639 p.) |
| Disciplina | 539.7217 |
| Collana | Springer Series in Chemical Physics |
| Soggetto topico |
Physical chemistry
Optics Electrodynamics Atomic structure Molecular structure Physical measurements Measurement Signal processing Image processing Speech processing systems Physical Chemistry Classical Electrodynamics Atomic/Molecular Structure and Spectra Measurement Science and Instrumentation Signal, Image and Speech Processing |
| ISBN | 3-319-14929-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction into TCSPC -- Clinical and Preclinical Application of TCSPC -- Protein Structure and Protein Interaction -- NADH Dynamics -- Measurement of Local Environment Parameters in Biological Systems -- Oxygen Concentration Measurement in Biological tissue by Phosophorescence Lifetime Measurement. |
| Record Nr. | UNINA-9910298613003321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advances in Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) / / edited by Liliana Mammino, Davide Ceresoli, Jean Maruani, Erkki Brändas
| Advances in Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) / / edited by Liliana Mammino, Davide Ceresoli, Jean Maruani, Erkki Brändas |
| Edizione | [1st ed. 2020.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (XVI, 469 p.) |
| Disciplina | 541.28 |
| Collana | Progress in Theoretical Chemistry and Physics |
| Soggetto topico |
Chemistry, Physical and theoretical
Atomic structure Molecular structure Bioinformatics Computational biology Quantum physics Theoretical and Computational Chemistry Atomic/Molecular Structure and Spectra Computer Appl. in Life Sciences Quantum Physics |
| ISBN | 3-030-34941-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Part 1: Exotic Atomic Systems -- Chapter 1. Advanced Relativistic Energy Approach in the Spectroscopy of Auto-ionization States of Multi-electron Atomic Systems (Alexander V. Glushkov ) -- Chapter 2. Relativistic Quantum Chemistry and Spectroscopy of Kaonic Atomic Systems with Accounting for Radiative and Strong Interaction Effects(O. Yu. Khetselius, V. B. Ternovsky, Y.V. Dubrovskaya, I.N. Serga,and A. A. Svinarenko) -- Chapter 3. Spectroscopy of Rydberg Atomic Systems in a Black-Body Radiation Field (Valentin B. Ternovsky, Alexander V. Glushkov, Anna A. Kuznetsova, and Andrey V. Tsudik) -- Chapter 4. Hyperfine and Electroweak Interactions in Heavy Finite Fermi Systems and Parity Non-conservation Effect(Olga Yu. Khetselius, Alexander V. Glushkov, Eugeny Ternovsky,Vasily V. Buyadzhi, and Aleksii L. Mykhailov ) -- Part 2: Clusters and Molecules Interactions -- Chapter 5.Quantum Study of Helium Clusters Doped with Electronically Excited Li, Na, K and Rb Atoms (David Dell’Angelo). – Chapter 6. A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)(Partricia R. P. Barreto, Ana Claudia P. S. Cruz, Henrique O. Euclides, Alessandra F. Albernaz, Federico Palazzetti, and Fernando Pirani) -- Chapter 7. A Theoretical Study on the Reaction between Chloroacetic Acid and Thiourea(Mwadham M. Kabanda and Kgalaletso P. Otukile ) -- Chapter 8. Density Functional Theory Studies of Ruthenium (N3) Dye Adsorbed on a TiO2 Brookite Nanocluster for Application to Dye Sensitized Solar Cells (I. F. Elegbeleye, N. E. Maluta, and R. R. Maphanga) -- Part 3: Biochemistry and Biophysics -- Chapter 9. Complexes of Furonewguinone-B with a Cu2+ Ion. A DFT Study (Liliana Mammino) -- Chapter 10. Computational Study of Shuangancistrotectorine-A: A Naphthyliso-quinoline Alkaloid with Antimalarial Activity(Mireille Bilonda and Liliana Mammino) -- Chapter 11. Ab initio and DFT Computational Study of Myristinin-A and a Structurally Related Molecule(Neani Tshilande and Liliana Mammino) -- Chapter 12.Current Problems in Computer Simulation of Variability of the Three-Dimensional Structure of DNA( V. Poltev, V.M. Anisimov1, V. Dominguez, A. Deriabina, E. Gonzalez, D. Garcia, V. Vázquez-Báez, F. Rivas) -- Part 4: Fundamental Theory -- Chapter 13. Efficient ‘Middle’ Thermostat Scheme for the Quantum / Classical Canonical Ensemble via Molecular Dynamics (Xinzijian Liu, Kangyu Yan, and Jian Liu) -- Chapter 14. Megascopic Quantum Phenomena: A Critical Study of Physical Interpretations (Michal Crvek) -- Chapter 15. Is Abiogenesis Supported by the Second Law of Thermodynamics? (Erkki J. Brändas) -- Chapter 16. Can Quantum Theory Concepts Shed Light on Biological Evolution Processes? (Jean Maruani). |
| Record Nr. | UNINA-9910380724803321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Arterial Stiffness : Implications and Interventions / / by Bradley S. Fleenor, Adam J. Berrones
| Arterial Stiffness : Implications and Interventions / / by Bradley S. Fleenor, Adam J. Berrones |
| Autore | Fleenor Bradley S |
| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (67 p.) |
| Disciplina | 616.136 |
| Collana | SpringerBriefs in Physiology |
| Soggetto topico |
Human physiology
Atomic structure Molecular structure Molecular biology Cardiology Health promotion Angiology Human Physiology Atomic/Molecular Structure and Spectra Molecular Medicine Health Promotion and Disease Prevention |
| ISBN | 3-319-24844-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Preface -- 1. Overview of Arterial Stiffness -- 2. Mechanisms of Arterial Stiffness -- 3. Implications of Arterial Stiffness -- 4. Interventions to Destiffen Arteries -- Index. |
| Record Nr. | UNINA-9910298269703321 |
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Fleenor Bradley S
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomi, Molecole e Solidi : Esercizi Risolti / / by Adalberto Balzarotti, Michele Cini, Massimo Fanfoni
| Atomi, Molecole e Solidi : Esercizi Risolti / / by Adalberto Balzarotti, Michele Cini, Massimo Fanfoni |
| Autore | Balzarotti Adalberto |
| Edizione | [2nd ed. 2015.] |
| Pubbl/distr/stampa | Milano : , : Springer Milan : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (XI, 359 pagg. 48 figg.) |
| Disciplina | 530 |
| Collana | UNITEXT for Physics |
| Soggetto topico |
Physics
Atoms Atomic structure Molecular structure Condensed matter Solid state physics Spectroscopy Microscopy Physics, general Atomic, Molecular, Optical and Plasma Physics Atomic/Molecular Structure and Spectra Condensed Matter Physics Solid State Physics Spectroscopy and Microscopy |
| ISBN | 88-470-5702-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | ita |
| Nota di contenuto | 1 Fisica atomica -- 2 Fisica molecolare -- 3 Fisica dei solidi -- A.1 Lista dei simboli più usati -- A.2 Unità atomiche -- A.3 Metodo variazionale lineare -- A.4 Teoria delle perturbazioni (caso non degenere) -- A.5 Sviluppo in serie del potenziale Coulombiano in armoniche sferiche -- A.6 Teorema dell’addizione delle armoniche sferiche -- A.7 Simmetrie degli integrali Coulombiano e di scambio -- A.8 Elementi di matrice tra stati determinantali di operatori ad uno o due corpi -- A.9 Accoppiamento di due elettroni p: casi n1 pn2 p e p2 -- A.10 Trasformazione di Galileo -- A.11 Frazione di carica sul sito per un gas di elettroni -- A.12 Teorema di Floquet-Bloch -- A.13 Fattore di struttura (Sistema cristallino cubico) -- A.14 Costanti fondamentali -- A.15 Integrali notevoli -- A.16 Configurazione elettronica degli atomi -- Testi consigliati -- Indice Analitico. |
| Record Nr. | UNINA-9910392723403321 |
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Balzarotti Adalberto
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| Milano : , : Springer Milan : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range [[electronic resource] /] / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti
| Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range [[electronic resource] /] / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti |
| Autore | Civiš Svatopluk |
| Edizione | [1st ed. 2020.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (158 pages) |
| Disciplina | 543.52 |
| Collana | Springer Series in Chemical Physics |
| Soggetto topico |
Atomic structure
Molecular structure Spectroscopy Microscopy Astronomy Astrophysics Physical chemistry Atomic/Molecular Structure and Spectra Spectroscopy/Spectrometry Spectroscopy and Microscopy Astronomy, Astrophysics and Cosmology Physical Chemistry |
| ISBN | 3-030-47352-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1 - Introduction -- Chapter 2- Experimental setup and spectral analysis -- Chapter 3 - Spectra -- Chapter 4 - Conclusion. |
| Record Nr. | UNISA-996418179203316 |
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Civiš Svatopluk
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
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Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range / / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti
| Atomic Emission Spectra of Neutral Noble Gases in the Infrared Spectral Range / / by Svatopluk Civiš, Ekaterina Zanozina, Adam Pastorek, Petr Kubelík, Martin Ferus, Ashok Chilukoti |
| Autore | Civiš Svatopluk |
| Edizione | [1st ed. 2020.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (158 pages) |
| Disciplina | 543.52 |
| Collana | Springer Series in Chemical Physics |
| Soggetto topico |
Atomic structure
Molecular structure Spectroscopy Microscopy Astronomy Astrophysics Physical chemistry Atomic/Molecular Structure and Spectra Spectroscopy/Spectrometry Spectroscopy and Microscopy Astronomy, Astrophysics and Cosmology Physical Chemistry |
| ISBN | 3-030-47352-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1 - Introduction -- Chapter 2- Experimental setup and spectral analysis -- Chapter 3 - Spectra -- Chapter 4 - Conclusion. |
| Record Nr. | UNINA-9910410003103321 |
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Civiš Svatopluk
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomic Properties in Hot Plasmas : From Levels to Superconfigurations / / by Jacques Bauche, Claire Bauche-Arnoult, Olivier Peyrusse
| Atomic Properties in Hot Plasmas : From Levels to Superconfigurations / / by Jacques Bauche, Claire Bauche-Arnoult, Olivier Peyrusse |
| Autore | Bauche Jacques |
| Edizione | [1st ed. 2015.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
| Descrizione fisica | 1 online resource (386 p.) |
| Disciplina | 530 |
| Soggetto topico |
Plasma (Ionized gases)
Nuclear energy Atomic structure Molecular structure Physics Quantum physics Plasma Physics Nuclear Energy Atomic/Molecular Structure and Spectra Mathematical Methods in Physics Quantum Physics |
| ISBN | 3-319-18147-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Preface -- Abbreviations -- Introduction -- The Central-Field Configurational Model -- Distribution Functions. Energy Levels -- Statistical Properties of Transition Arrays -- Modeling of Ionic Spectra -- Static and Dynamical Equilibrium in Plasmas -- Super Configurations and Super Transition Arrays -- Global Approach to Plasmas in LTE Equilibrium -- Global Approaches to Non-LTE Hot Dense Plasmas. Effective Temperatures -- Hybrid Models -- Plasma Simulations -- Applications to Hot-Plasma Radiation -- Appendix A – The Tensor-Operator Formalism -- Appendix B – The Second-Quantization Method for Electrons in Atoms -- Appendix C – Partition Function Algebra -- Appendix D – Analytical Evaluation of the Ionic-Excitation Temperature T(I) -- Appendix E – Evaluation of the Radiative Power Losses of a Superconfiguration -- Subject index. |
| Record Nr. | UNINA-9910300405903321 |
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Bauche Jacques
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomic Spectroscopy and Radiative Processes / / by Egidio Landi Degl'Innocenti
| Atomic Spectroscopy and Radiative Processes / / by Egidio Landi Degl'Innocenti |
| Autore | Landi Degl'Innocenti Egidio |
| Edizione | [1st ed. 2014.] |
| Pubbl/distr/stampa | Milano : , : Springer Milan : , : Imprint : Springer, , 2014 |
| Descrizione fisica | 1 online resource (432 p.) |
| Disciplina | 539.7 |
| Collana | UNITEXT for Physics |
| Soggetto topico |
Astrophysics
Atomic structure Molecular structure Particle acceleration Elementary particles (Physics) Quantum field theory Space sciences Astrophysics and Astroparticles Atomic/Molecular Structure and Spectra Particle Acceleration and Detection, Beam Physics Elementary Particles, Quantum Field Theory Space Sciences (including Extraterrestrial Physics, Space Exploration and Astronautics) |
| ISBN | 88-470-2808-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | General laws of the electromagnetic field -- Spectrum and polarisation -- Radiation from moving charges -- Quantisation of the electromagnetic field -- Relativistic wave equations -- Atoms with a single valence electron -- Atoms with multiple valence electrons -- Term energies -- More details on the spectra -- Laws of thermodynamic equilibrium -- Interaction between matter and radiation -- Selection rules and line strengths -- Non-equilibrium plasmas -- Radiative transfer -- Second order processes. |
| Record Nr. | UNINA-9910300372303321 |
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Landi Degl'Innocenti Egidio
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| Milano : , : Springer Milan : , : Imprint : Springer, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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