Titlebook: Conceptual Trends in Quantum Chemistry; E. S. Kryachko,J. L. Calais Book 1994 Springer Science+Business Media Dordrecht 1994 bonding.chemi

宽大

forthy

Towards an Operational Quantum Memory,correlation, a very large number of configurations are needed. Accurate calculations even on small molecules can strain the power of the largest modern computers; and the resulting multiconfigurational wave functions are often so complicated that they are difficult to interpret.

定点

Hyperspherical Harmonics; Some Properties and Applications,correlation, a very large number of configurations are needed. Accurate calculations even on small molecules can strain the power of the largest modern computers; and the resulting multiconfigurational wave functions are often so complicated that they are difficult to interpret.

obsession

uan­ tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But fir

过时

intuition

The Wavelet Transform: A New Mathematical Tool for Quantum Chemistry,ht into electronic distributions, e.g. information on the momenta of the electrons is completely smoothed out. Therefore the possibility of “looking at orbitals ” in different ways is still an up-to-date problem and appears as a necessary complement for a better understanding of a chemical structure.

Customary

斥责

String Model of Chemical Reactions, chemical reaction system A composed of several molecules, and the perturbation effects to it. Relativistic corrections including spin-dependent interactions or external electromagnetic fields including solvent effects are here treated as perturbations.

fluoroscopy

A Phase Space Essay,ics, i.e. quantum mechanics before Heisenberg and Schrödinger, was essentially formulated in phase space. But with the advent of modern quantum mechanics, emphasis was put on Hilbert space instead, and phase space became a dangerous place to rest in because of the uncertainty relation between position and momentum.

执拗

https://doi.org/10.1007/978-94-011-0852-2bonding; chemical bond; chemical reaction; quantum chemistry; quantum mechanics; structure; theoretical ch