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Inclusion of relativistic effects into ZDO methods. III. A. Quasi-relativistic INDO/1 version

✍ Scribed by Roman Boča

Book ID
104582399
Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
566 KB
Volume
34
Category
Article
ISSN
0020-7608

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Inclusion of relativistic effects into Z
Inclusion of relativistic effects into ZDO methods. IV. Relativistic CNDO/1
✍ Roman Boča 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 471 KB

## Abstract A relativistic, four‐component version of the CNDO (complete neglect of differential overlap) method is introduced. This method spans the class of zero‐differential‐overlap approximation and it utilizes a nonempirical parametrization based on results of atomic Dirac‐Fock calculations. T