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Accurate Condensed-Phase Quantum Chemistry / Edition 1
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Accurate Condensed-Phase Quantum Chemistry / Edition 1
Current price: $82.99
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Barnes and Noble
Accurate Condensed-Phase Quantum Chemistry / Edition 1
Current price: $82.99
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addresses these new methods and the problems to which they can be applied. The book begins with an overview of periodic treatments of electron correlation, with an emphasis on the algorithmic features responsible for their computational efficiency. The first section of the book:
The next section focuses on methods based on treatment of the periodic solid in terms of fragments. This part of the book:
Lastly, the book describes a practical method by which conventional molecular electronic structure theory can be applied to molecular liquids and solids. Along with the methodology, it presents results on small to medium water clusters as well as on liquid water.