Please choose whether or not you want other users to be able to see on your profile that this library is a favorite of yours. Now there is no need to convince even the members of the older generation of the usefulness of quantum chemistry for chemists. Magnetic properties of molecules -- References -- 15. You may send this item to up to five recipients. This is called determining the electronic structure of the molecule. Copyright © 2001-2020 OCLC. Later these systems were supplemented by ethylene and benzene. Would you also like to submit a review for this item? Get this from a library! Quantum Mechanics involves a mathematical formulation and a physical interpretation, establishing the correspondence between the mathematical elements of the theory (e.g., functions and operators) and the elements of reality (e.g., the observable proper- The post-war generation of chemists learned to handle a blow pipe at the university as thoroughly as modern chemistry students learn to write computer programmes. 2004 Edition by Hermann Haken (Author), Hans Christoph Wolf (Author), William D. Brewer (Translator) & 0 more Basic approximations in the theory of the chemical bond -- 5.1 Introductory comments -- 5.2 Neglecting of non-electrostatic interactions -- 5.3 The Born-Oppenheimer and adiabatic approximations -- 5.4 The method of configuration interaction -- 5.5 The independent electron model (one-electron approximation) -- 5.6 The method of molecular orbitals as linear combinations of atomic orbitals -- References -- 6. Please select Ok if you would like to proceed with this request anyway. Even after World War II the rule of three was considered to be sufficient mathematical knowledge for chemists and the short course of "higher mathematics" at technical universities was the test most feared by chemistry students. The reader is presumed to have a basic knowledge of atomic and quantum physics at the level pro The E-mail Address(es) field is required. J. Heyrovský Institute of Physical Chemistry and Electrochemistry,, A Brief Comment on the Development of the Theory of the Chemical Bond, The Time-Independent Schrödinger Equation, Mathematics and Logic of Quantum Mechanics, Basic Approximations in the Theory of the Chemical Bond, Atomic Orbitals (AO) and Molecular Orbitals (MO), Calculation Methods in the Theory of the Chemical Bond, Use of the Solution to the Schrödinger Equation, Examples of the Study of Polyatomic Molecules, Thermochemical Properties and Molecular Stability. Thermochemical properties and molecular stability -- 15.1 Heats of formation and atomization -- 15.2 Delocalization energies of conjugated compounds -- 15.3 Stabilization of coordination compounds -- Reference -- 16. Not affiliated Please enter your name. All rights reserved. Some features of WorldCat will not be available. Molecular Physics and Elements of Quantum Chemistry: Introduction to Experiments and Theory (Advanced Texts in Physics) 2nd enlarged ed. Please re-enter recipient e-mail address(es). For decades the hydrogen and helium atoms and the hydrogen molecule belonged among the systems most frequently investigated by theoreti­ cians. Part of Springer Nature. Relativistic quantum chemistry combines relativistic mechanics with quantum chemistry to explain elemental properties and structure, especially for the heavier elements of the periodic table. Don't have an account? Quantum chemistry, also called molecular quantum mechanics, is a branch of chemistry focused on the application of quantum mechanics in physical models and experiments of chemical systems. WorldCat is the world's largest library catalog, helping you find library materials online. In the case of the typical 1 elements there is an abrupt change in chemical properties with atomic number, i.e. Quantum mechanics are essentially the rules that govern how atoms behave and fully explain the chemical behavior of most of the elements on the periodic table. [Rudolf Zahradník; Rudolf Polák] ISBN: 9781461339212 1461339219 9781461339236 1461339235 OCLC Number: 840282598 Description: 1 online resource (462 pages) (not yet rated) Elements of Quantum Chemistry. Quantum chemistry enables us to understand and predict structures, properties, and reaction mechanisms in various substances. Molecular spectroscopy -- 13.1 Phenomenological description -- 13.2 Excitation within a single electronic level -- 13.3 Excitation within the framework of several electronic levels -- References -- 14. The first step in solving a quantum chemical problem is usually solving the Schrödinger equation (or Dirac equation in relativistic quantum chemistry) with the electronic molecular Hamiltonian. The Elements of Quantum Chemistry (3 - 0 - 6) Winter term; Instructor. Quantum Chemistry by Mark S © 2020 Springer Nature Switzerland AG. Weak interactions -- 17.1 Introduction -- 17.2 van der Waals interaction between a pair of linear oscillators -- 17.3 Various means of calculating intermolecular interaction energies -- 17.4 Application of weak interactions from the point of view of physical chemistry -- References.\"@, Export to EndNote / Reference Manager(non-Latin), http:\/\/\/oclc\/840282598>. Using controllable quantum systems to simulate quantum mechanical problems in chemistry and physics was the brainchild of Richard Feynman, who remarked in the 1980s that “If you want to make a simulation of nature, you'd better make it quantum mechanical, and by golly it's a wonderful problem, because it doesn't look so easy” . Dirac's famous clairvoyant statement* has been partially realized. Quantum chemistry is a field of chemistry that tries to explain the strange and unusual behavior of the smallest particle we know of, the electron. Prof. Vincent B. McKoy 120 Noyes, x6545 Syllabus. each additional electron. It can be said that the electronic structure of a molecule or crystal implies essentially its chemical properties. During the last quarter of this century, amazing changes have occurred in chemistry, some of them almost incredible. The E-mail Address(es) you entered is(are) not in a valid format. Chemical reactivity -- 16.1 Introductory comments -- 16.2 Empirical approach -- 16.3 Theoretical approach -- 16.4 Calculations of relative equilibrium and rate constants -- 16.5 Compromise approach: the quantum chemical treatment -- References -- 17. Create lists, bibliographies and reviews: Your request to send this item has been completed. Please enter the subject. ... Japan, and the UK. Unfortunately, the calculations on calycanin were not completed before his death. Quantum chemistry is an application of quantum mechanics to chemistry. Separate up to five addresses with commas (,). The subject field is required. However, even then some en­ visaged the theoretical derivation of information on the properties of molecules from knowledge of the bonding of the component atoms. A brief comment on the development of the theory of the chemical bond -- 3. For decades the hydrogen and helium atoms and the hydrogen molecule belonged among the systems most frequently investigated by theoreti­ cians.