Ad
related to: molecular quantum mechanics atkins pdf download
Search results
Results From The WOW.Com Content Network
Peter William Atkins FRSC (born 10 August 1940) is an English chemist and a Fellow of Lincoln College at the University of Oxford. He retired in 2007. He is a prolific writer of popular chemistry textbooks, including Physical Chemistry, Inorganic Chemistry, and Molecular Quantum Mechanics. Atkins is also the author of a number of popular ...
Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. [1]
e. Atomic, molecular, and optical physics (AMO) is the study of matter –matter and light –matter interactions, at the scale of one or a few atoms [1] and energy scales around several electron volts. [2]: 1356 [3] The three areas are closely interrelated. AMO theory includes classical, semi-classical and quantum treatments.
The hybrid QM/MM (quantum mechanics / molecular mechanics) approach is a molecular simulation method that combines the strengths of ab initio QM calculations (accuracy) and MM (speed) approaches, thus allowing for the study of chemical processes in solution and in proteins. The QM/MM approach was introduced in the 1976 paper of Warshel and ...
The approach is named after Max Born and his 23-year-old graduate student J. Robert Oppenheimer, the latter of whom proposed it in 1927 during a period of intense fervent in the development of quantum mechanics. [2][3] The approximation is widely used in quantum chemistry to speed up the computation of molecular wavefunctions and other ...
Rotational spectroscopy has primarily been used to investigate fundamental aspects of molecular physics. It is a uniquely precise tool for the determination of molecular structure in gas-phase molecules. It can be used to establish barriers to internal rotation such as that associated with the rotation of the CH.
Quantum mechanics is a fundamental theory that describes the behavior of nature at and below the scale of atoms. [2]: 1.1 It is the foundation of all quantum physics, which includes quantum chemistry, quantum field theory, quantum technology, and quantum information science. Quantum mechanics can describe many systems that classical physics cannot.
Applications of quantum mechanics include explaining phenomena found in nature as well as developing technologies that rely upon quantum effects, like integrated circuits and lasers. [ note 1 ] Quantum mechanics is also critically important for understanding how individual atoms are joined by covalent bonds to form molecules .