If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees...
If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure...
The last decade has been marked by a rapid growth in statistical mechanics, especially in connection with the physics and chemistry of the fluid state. Our understanding in these areas has been considerably advanced and enriched by the discovery of new techniques and the sharpening of old techniques, ranging all the way from computer simulations to mode-mode coupling theories. Statistical mechanics brings together under one roof a broad spectrum of mathematical methods. The aim of these volumes is to provide a didactic treatment of those topics that are most useful for the study of problems...
The last decade has been marked by a rapid growth in statistical mechanics, especially in connection with the physics and chemistry of the fluid state...
The last decade has been marked by a rapid growth in statistical mechanics, especially in connection with the physics and chemistry of the fluid state. Our understanding in these areas has been considerably advanced and enriched by the discovery of new techniques and the sharpening of old techniques, ranging all the way from computer simulation to mode-mode coupling theories. Statistical mechanics brings together under one roof a broad spectrum of mathematical techniques. The aim of these volumes is to provide a didactic treatment of those techniques that are most useful for the study of...
The last decade has been marked by a rapid growth in statistical mechanics, especially in connection with the physics and chemistry of the fluid state...
If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees...
If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure...
Activity in any theoretical area is usually stimulated by new experimental techniques and the resulting opportunity of measuring phenomena that were previously inaccessible. Such has been the case in the area under consideration he re beginning about fifteen years aga when the possibility of studying chemical reactions in crossed molecular beams captured the imagination of physical chemists, for one could imagine investigating chemical kinetics at the same level of molecular detail that had previously been possible only in spectroscopic investigations of molecular stucture. This created an...
Activity in any theoretical area is usually stimulated by new experimental techniques and the resulting opportunity of measuring phenomena that were p...
These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrodinger's equation are sought "from the beginning," i. e., without recourse to experimental data. From a more pragmatic viewpoint, the distin- guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the...
These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate...
These two volumes deal with the quantum theory of the electronic structure of ab initio is the notion that approximate solutions molecules. Implicit in the term of Schrodinger's equation are sought "from the beginning," i. e., without recourse to experimental data. From a more pragmatic viewpoint, the distin- guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the...
These two volumes deal with the quantum theory of the electronic structure of ab initio is the notion that approximate solutions molecules. Implicit i...
