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Posted: December 19, 2008
Enter the Legends of the Legacy Archives contest
(Nanowerk News) What article in the ACS Legacy Archives do you think was exceptionally influential in your area of research?
Can you think of a Legacy Archives article that has attained near-legendary status in your area of research or a related field? Here's your chance to win a great prize and share your favorite research with the scientific community. Cite the article, write a brief summary of the research and its significance, and send your contest entry to [email protected]
Just for entering, you'll receive a Personalized Certificate and your entry will be posted on our Legacy Archives website. You'll also be eligible to win one of 3 grand prizes: a new iPod touch!
Contest deadline: March 1, 2009.
Jin Z. Zhang, University of California
Electronic wave functions in semiconductor clusters: experiment and theory
Louis Brus, J. Phys. Chem.; 1986; 90(12) pp 2555 - 2560; DOI: 10.1021/j100403a003
This feature article by Brus provides a critical review of experimental and theoretical work in the study and understanding of size-dependent electronic properties of semiconductor nanocrystals or quantum dots in the size range of about 15 to several hundred angstroms. Simple and elegant explanations are given to the semiconducting electronic properties using chemical valence theory. Quantum size confinement effect is correctly predicted and successfully corroborated by experimental results. This work has served as an important masterpiece to guide research on electronic and optical properties of semiconductor nanomaterials.
Kenneth D. Jordan, University of Pittsburgh
Toward a systematic molecular orbital theory for excited states
James B. Foresman, Martin Head-Gordon, John A. Pople, and Michael J. Frisch
This paper presented the first computationally efficient implementation of the configuration interactions singles (CIS) method, including analytical gradients, for electronically excited states. The authors also introduced an MP2-like correlation correction to the CIS energies. The CIS and CIS-MP2 methods were tested on molecules ranging from ethylene to porphin in size and for basis sets of varying flexibility. The CIS method has proven to be exceedingly valuable for elucidating the properties of electronically excited states of molecules. In recent years, the CIS method has been supplanted by time-dependent DFT (TDDFT) methods for many applications. However, given the difficulties of TDDFT methods for describing charge-transfer and Rydberg states, the CIS method continues to remain an important tool for characterizing excited states.