✍ Scribed by J.R. Sabin (Eds.)
No coin nor oath required. For personal study only.
Content:
Bonding in the Perchlorate Anion and Radical Original Research Article
Pages 1-8
Jan Linderberg
Cauchy Moments of Ne, Ar, and Kr Atoms Calculated Using the Approximate Coupled Cluster Triples Model CC3 Original Research Article
Pages 9-21
Filip Pawłowski, Poul Jørgensen, Christof Hättig
Density of States and Transmission in Molecular Transport Junctions Original Research Article
Pages 23-34
Zsolt Bihary, Mark A. Ratner
GW Method for Extended, Periodic Systems with a Mixed Slater-Orbital/Plane-Wave Basis and Fourier Transform Techniques Original Research Article
Pages 35-45
Hendrik J. Monkhorst
Orientational Effects in Energy Deposition by Protons in Water Original Research Article
Pages 47-57
Remigio Cabrera-Trujillo, John R. Sabin, Erik Deumens, Yngve Öhrn
Low-Lying Excited States of the Hydrogen Molecule in Cylindrical Harmonic Confinement Original Research Article
Pages 59-89
John M.H. Lo, Mariusz Klobukowski, Geerd H.F. Diercksen
Interplay of Classical and Quantum Mechanics in the Theory of Charged-Particle Stopping Original Research Article
Pages 91-110
Peter Sigmund
Elliptic Functions of the Worst Kind: Non-linear Quantisation of the Classical Spherical Pendulum Original Research Article
Pages 111-125
John W. Perram, Edgar R. Smith
Theoretical NMR nJ(13C,13C) Scalar Couplings as Probes to Study Diamagnetic Ring Currents in Fullerenes Original Research Article
Pages 127-139
Rubén H. Contreras, Juan E. Peralta, Verónica Barone, Gustavo E. Scuseria
The Dipole Polarizability of F− in Aqueous Solution. A Sequential Monte Carlo/Quantum Mechanics Study Original Research Article
Pages 141-150
Sylvio Canuto, Kaline Coutinho, Prasanta K. Mukherjee
In Search for the Negative Polarizability States – the 
State of Hydrogen Molecule Original Research Article
Pages 151-159
Jacek Komasa
On the Usage of Locally Dense Basis Sets in the Calculation of NMR Indirect Nuclear Spin–Spin Coupling Constants: Vicinal Fluorine–Fluorine Couplings Original Research Article
Pages 161-183
Marina Sanchez, Patricio F. Provasi, Gustavo A. Aucar, Stephan P.A. Sauer
Calculations of Dipole and Quadrupole Polarizability Radial Functions for LiH and HF: A Comparison of Different Linear Response Methods Original Research Article
Pages 185-208
Ivana Paidarová, Stephan P.A. Sauer
Rotation–Vibration Motion of Pyramidal XY3 Molecules Described in the Eckart Frame: The Calculation of Intensities with Application to NH3 Original Research Article
Pages 209-238
Sergei N. Yurchenko, Walter Thiel, Miguel Carvajal, Hai Lin, Per Jensen
Dissociative Low-Energy Electron Attachment to the C–S Bond of H3CSCH3 Influenced by Coulomb Stabilization Original Research Article
Pages 239-251
Monika Sobczyk, Piotr Skurski, Jack Simons
Dunham's Formalism Applied in Reduction of Spectral Data of Diatomic Molecules and the Development of Computational Spectrometry Original Research Article
Pages 253-317
J.F. Ogilvie, J. Oddershede
Quantum-Chemical Calculations of Radial Functions for Rotational and Vibrational g Factors, Electric Dipolar Moment and Adiabatic Corrections to the Potential Energy for Analysis of Spectra of HeH+ Original Research Article
Pages 319-334
Stephan P.A. Sauer, Hans Jørgen Aa. Jensen, John F. Ogilvie
From the Orbital Implementation of the Kinetic Theory to the Polarization Propagator Method in the Study of Energy Deposition Problems Original Research Article
Pages 335-367
R. Cabrera-Trujillo, S.A. Cruz, J. Soullard
Magnetic Balance and Explicit Diamagnetic Expressions for Nuclear Magnetic Resonance Shielding Tensors Original Research Article
Pages 369-381
Lucas Visscher
Spin-Interactions and the Non-relativistic Limit of Electrodynamics Original Research Article
Pages 383-405
Trond Saue
Highly Compact Wavefunctions for Two-Electron Systems Original Research Article
Pages 407-419
Frank E. Harris, Vedene H. Smith, Jr.
Excitation Energies for Transition Metal Atoms – A Comparison between Coupled Cluster Methods and Second-Order Perturbation Theory Original Research Article
Pages 421-433
Juraj Raab, Björn O. Roos
A Reinvestigation of Ramsey's Theory of NMR Coupling Original Research Article
Pages 434-467
S. Ajith Perera, Rodney J. Bartlett
The Rotational g Tensor of HF, H2O, NH3, and CH4: A Comparison of Correlated Ab Initio Methods Original Research Article
Pages 469-490
Stephan P.A. Sauer
Contents
Pages v-xi
Contributors
Pages xiii-xv
Jens Oddershede – Adventurer in Quantum Chemistry Original Research Article
Pages xvii-xix
Lene B. Oddershede, John R. Sabin
Subject Index
Pages 491-499
📜 SIMILAR VOLUMES
Content: Special vols.: v. 41 (2002): A tribute to the life and work of Per-Olov Lowdin.-v.42 (2003): see analytic entry 118469.-v.44 (2003): see analytic entry 88803.-vols. 45,46 (2004): see analytic entry 90077.-v. 48 (2005): Jens Oddershede -- adventurer in quantum chemistry
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers.
ADVANCES IN QUANTUM CHEMISTRY VOL 1.</div>
ADVANCES IN QUANTUM CHEMISTRY VOL 7.</div>
ADVANCES IN QUANTUM CHEMISTRY VOL 8.</div>
Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researche