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Young's modulus of alkali halides from interionic potential energy functions

โœ Scribed by P. Mohazzabi; B. O. Okeke; I. P. Ikegwuonu


Publisher
Springer
Year
1985
Tongue
English
Weight
208 KB
Volume
4
Category
Article
ISSN
0261-8028

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โœ Mark E. Casida; Kim C. Casida; Dennis R. Salahub ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 314 KB ๐Ÿ‘ 2 views

This work reports the first density-functional theory DFT treatment of excited-state potential energy surfaces exhibiting avoided crossings. Time-dependent ลฝ . DFT TD-DFT results, using a recently proposed asymptotically corrected local density approximation functional, are compared with multirefere