Anab initio method for approximation of the frozen molecular fragment
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference20 articles.
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4. A general quantum chemical approach to study the locally perturbed periodic systems: A new development of the ab initio crystal elongation method;The Journal of Chemical Physics;1995-07-08
5. Application of the elongation method to the calculation of electronic structures of the interface and the local defect states in a polymer: An analysis of the periodicity in the electronic states of a nonperiodic polymer by using the cluster‐series calculation;The Journal of Chemical Physics;1994-11
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