Quantum Chemistry: Classic Scientific Papers (Google eBook)
World Scientific, May 14, 2014 - SCIENCE - 520 pages
Chemical physics is presently a very active field, where theoretical computation and accurate experimentation have led to a host of exciting new results. Among these are the possibility of state-to-state reactive scattering, the insights in non-adiabatic chemistry, and, from the computational perspective, the use of explicitly correlated functions in quantum chemistry. Many of these present-day developments use ideas, derivations and results that were obtained in the very early days of quantum theory, in the 1920s and 1930s. Much of this material is hard to study for readers not familiar with German. This volume presents English translations of some of the most important papers. The choice of material is made with the relevance to present-day researchers in mind. Included are seminal papers by M. Born and J.R. Oppenheimer, J. von Neurmann and E. Wigner, E.A. Hylleraas, F. London, F. Hund, H.A. Kramers, R. de L. Kronig and F. Huckel, among others.
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On the Behaviour of Eigenvalues in Adiabatic Processes
On the Theory of the Interaction Between Electronic
Theory of Atoms
A New Calculation of the Energy of Helium in the Ground
The lonisation Potentials of Atomic Configurations with
Theory of the Chemical Bond
On the Quantum Theory of Homopolar Valence Numbers
On the Interpretation of Molecular Spectra Ill
On the Interpretation of Band Spectra II
On the Structure of the Spectra of TwoAtomic Molecules
On the Structure of Multiplet 5States in Diatomic Molecules I
On the Spontaneous Decomposition of TwoAtomic Molecules
On the Theory and System of Molecular Forces
On Some Properties and Applications of Molecular Forces
On Simple Gas Reactions
On the Interpretation of Molecular Spectra I
Lifetimes from Resonance Phenomena
Z Phys Chem B12 279 1931
activation energy adiabatic angular momentum ansatz anti-symmetric appear approximation assume atoms azimuthal quantum bands behaviour calculation centres of mass chemical chemical bond coefficients computed configuration consider coordinates corresponding Coulomb curves degeneracy degenerate depends determined differential equation dipole discussed distance double bond effect eigenfunctions eigenvalue electronic motion equal equilibrium factor forces formula fumaric acid function Heitler helium homo-polar Hund hydrogen indicate instance integration interaction internuclear axis ionisation linear matrix method molecular Mulliken neglected nuclear nuclei obtain order of magnitude orthogonal Pauli principle perturbation energy perturbation theory Phys plane polar molecule polarisability position possible potential energy present problem quantum chemistry quantum mechanics quantum number reaction represents resonance respect result Schrodinger separated solution spectra spin splitting substitute symmetric symmetry character theoretical theory transformation transition two-atomic molecules unperturbed valence vanish vibrational Waals wave wave-mechanical yields zero zero-point energy zeroth order
Page xxv - Stone) whereby to possess himself of Nature's treasures without effort,5 but the Western strives to direct the world according to his will. The Faustian inventor and discoverer is a unique type. The primitive force of his will, the brilliance of his visions, the steely energy of his practical ponderings, must appear queer and incomprehensible to anyone at the standpoint of another Culture, but for us they are in the blood. Our whole Culture has a discoverer's soul. To dis-cover that which is not...
Page xxxvi - A theoretical physicist in these days asks just one thing of his theories: if he uses them to calculate the outcome of an experiment, the theoretical prediction must agree, within limits, with the result of the experiment. He does not ordinarily argue about philosophical implications of his theory.
Page xxi - ... is capable of being carried out, and to make the prediction in less time than it would take to carry out the proposed experiment.
Page xxx - London's answer was not exactly an eulogy to the chemical profession. The word "valence" means for the chemist something more than simply forces of molecular formation. For him it means a substitute for these forces whose aim is to free him from the necessity to proceed, in complicated cases, by calculations deep into the model. It is clear that this remains wishful thinking. Also the fact that it has certain heuristic successes. We can, also, show the quantum mechanical framework of this success...
Page ii - WORLD SCIENTIFIC SERIES IN 20TH CENTURY CHEMISTRY Consulting Editors: DHR Barton (Texas A&M University) FA Cotton (Texas A&M University) YT Lee (Academia Sinica, Taiwan) AH Zewail (California Institute of Technology) Published: Vol. 1 : Molecular Structure and Statistical Thermodynamics — Selected Papers of Kenneth S. Pitzer by Kenneth S. Pitzer Vol. 2: Modern Alchemy — Selected Papers of Glenn T. Seaborg by Glenn T. Seaborg Vol. 3: Femtochemistry: Ultrafast Dynamics of the Chemical Bond by Ahmed...
Page xxxiii - If belief in the reality of atoms is so essential to you I hereby abandon the physicists
Page xxxii - This overarching program to explain all of chemistry got Heitler into trouble more than once. Wigner used to tease him, since he was sceptical that the whole of chemistry could be derived in such a way. Wigner would ask Heitler to tell him what chemical compounds between nitrogen and hydrogen his theory could predict, and 'since he did not know any chemistry he couldn't tell me'.30 Heitler confessed as much in his interview: 'The problem was to understand chemistry.
Page xxii - Zivilisation was identified with the "outward" signs of a limited sort of education. At first, it referred primarily to questions of social form. It suggested superficial polish; but it also implied a generally practical and worldly sort of knowledge. With time, the term civilization was quite naturally expanded to cover all the results of "outward...
Page xxiii - The quantifying, so-called exact, investigation is on the contrary merely measurement and, since it ignores the essence of things and must decompose them into magnitudes in order to inventory them, it does not deserve the name Wissenschaft in the same high sense as the Geisteswissenschaften. The question of utility and achieved goals is one thing, the worth of genuine Wissenschaften concerned with totality and essence is another. Such worth modern mathematical science does not possess today.8 This...
Page xxiv - With this, a purely extensional something, a form of limitdefining, is abstracted from the visible objects of economics just as mathematical thought abstracts something from the mechanistically conceived environment. Abstract money corresponds exactly to abstract number. Both are entirely inorganic.