Calculation of molecular geometries and energies by a local density functional approach
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference24 articles.
1. and Eds., Local Density Approximation in Quantum Chemistry and Solid State Physics (Plenum, New York, 1984).
2. Calculated electron distribution for tetrafluoroterephthalonitrile (TFT)
3. Bonding of noble metals to semiconductor surfaces: first-principles calculations of copper and silver on silicon(111)
4. The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integration
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