Advances in Quantum Chemistry
- 1st Edition, Volume 89 - January 19, 2024
- Imprint: Academic Press
- Editor: Erkki J. Brändas
- Language: English
- Hardback ISBN:9 7 8 - 0 - 4 4 3 - 2 4 1 2 1 - 5
- eBook ISBN:9 7 8 - 0 - 4 4 3 - 2 4 1 2 2 - 2
Advances in Quantum Chemistry, Volume 89 highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors.… Read more
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Request a sales quoteAdvances in Quantum Chemistry, Volume 89 highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors. Updates in this release include Scattering of e± with Al, Ni, Cu, Ag, Pt, and Au atoms including the relativistic effects at 1 eV ≤ Ei ≤ 1 MeV, Chirped Pulse Control of Raman Coherence in Atoms and Molecules, and The Quantum Mechanical Non-adiabatic coupling Term as friction in the formation of DH2+.
- Provides the authority and expertise of leading contributors from an international board of authors
- Presents the latest release in Advances in Quantum Chemistry series
- Updated release includes the latest information on this timely topic
Quantum chemists who seek to learn more about quantum computing and quantum computing researchers who would like to explore applications in quantum chemistry
- Cover image
- Title page
- Table of Contents
- Series Page
- Copyright
- Contributors
- Preface
- Philip E. Hoggan
- Chapter One Specific quantum effects in low energy neutron scattering from protons
- Abstract
- 1 Introduction
- 2 The neutron-proton interaction at low energies
- 3 Neutron scattering from pairs of protons
- 4 Creation of proton-proton entanglement in n-p scattering
- 5 Entanglement effects in neutron Compton scattering
- 6 Entanglement effects in INS
- 7 Decoherence of entanglement in neutron scattering from H and D
- 8 Protons in tunneling states
- 9 Recoil effects in neutron scattering from hydrogen
- 10 Summary
- Acknowledgment
- References
- Chapter Two Scattering of e± with Al, Ni, Cu, Ag, Pt, and Au atoms including the relativistic effect at 1 eV ≤ Ei ≤1 MeV
- Abstract
- 1 Introduction
- 2 Theory
- 3 Potential details
- 4 Differential cross sections and spin asymmetry
- 5 Critical minima and maximum spin polarization
- 6 Integrated elastic and total cross sections
- 7 Conclusion
- References
- Chapter Three Chirped pulse control of Raman coherence in atoms and molecules
- Abstract
- 1 Introduction
- 2 Quantum control in cars using chirped pulses
- 3 Application of ultrafast C-CARS for remote detection
- 4 Deep neural networks applications in quantum control
- 5 Creation of maximally coherent states using fractional stimulated Raman adiabatic passage
- 6 Summary
- References
- Chapter Four The quantum mechanical non-adiabatic coupling term as friction in the formation of DH2+
- Abstract
- Highlights
- 1 Introduction
- 2 Theoretical background
- 3 Initialization, propagation and analysis
- 4 Results and discussion
- 5 Conclusion
- References
- Chapter Five Ultra-compact accurate wave functions for He-like isoelectronic sequences and variational calculus. IV. Spin-singlet states (1s ns)n 1S family of the helium sequence
- Abstract
- 1 Introduction
- 2 Spin-singlet 3 1S state
- 3 Spin-singlet 4 1S state
- 4 Spin-singlet 51S state
- 5 Spin-singlet n1S state
- 6 Majorana formulae
- 7 Conclusions
- References
- Chapter Six Solution of the Dirac–Coulomb equation using the Rayleigh–Ritz method: Results for He-like atoms
- Abstract
- 1 Introduction
- 2 The Dirac–Hartree–Fock equations
- 3 Results and discussions
- References
- Chapter Seven Quantum Monte Carlo method modeling hydrogen production using methane at Ni(111): The adsorbed formyl to CO step
- Abstract
- 1 Introduction
- 2 Theoretical method
- 3 Results
- 4 Conclusions and perspectives
- References
- Chapter Eight Revisiting the Coulomb potential corresponding to the product of two 1s STOs by using the Laguerre functions
- Abstract
- 1 Introduction
- 2 Methodology
- 3 Results
- 4 Concluding remarks
- Acknowledgments
- References
- Index
- Edition: 1
- Volume: 89
- Published: January 19, 2024
- Imprint: Academic Press
- No. of pages: 406
- Language: English
- Hardback ISBN: 9780443241215
- eBook ISBN: 9780443241222
EB
Erkki J. Brändas
Erkki Brändas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD’s from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology – from the microscopic realm to the cosmological rank.
Affiliations and expertise
Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, SwedenRead Advances in Quantum Chemistry on ScienceDirect