[Lecture Notes in Physics] Time-Dependent Density Functional Theory Volume 706 || Dispersion (Van Der Waals) Forces and TDDFT

✍ Scribed by Marques, Miguel A.L.; Ullrich, Carsten A.; Nogueira, Fernando; Rubio, Angel; Burke, Kieron; Gross, Eberhard K. U.

• Book ID: 120647625
• Publisher: Springer Berlin Heidelberg
• Year: 2006
• Tongue: German
• Weight: 358 KB
• Category: Article
• ISBN: 3540354263
• DOI: 10.1007/3-540-35426-3_30

✦ Synopsis

The Year 2004 Was A Remarkable One For The Growing ?eld Of Time-dependent Density Functional Theory (tddft). Not Only Did We Celebrate The 40th - Niversary Of The Hohenberg-kohn Paper, Which Had Laid The Foundation For Ground-state Density Functional Theory (dft), But It Was Also The 20th - Niversary Of The Work By Runge And Gross, Establishing A ?rm Footing For The Time-dependent Theory. Because The ?eld Has Grown To Such Prominence, And Has Spread To So Many Areas Of Science (from Materials To Biochemistry), We Feel That A Volume Dedicated To Tddft Is Most Timely. Tddft Is Based On A Set Of Ideas And Theorems Quite Distinct From Those Governingground-statedft,butemployingsimilar Techniques.itisfarmore Than Just Applying Ground-state Dft To Time-dependent Problems, As It - Volves Its Own Exact Theorems And New And Di?erent Density Functionals. Presently,themostpopularapplicationistheextractionofelectronicexcit- State Properties, Especially Transition Frequencies. By Applying Tddft After Thegroundstateofamoleculehasbeenfound,wecanexploreandunderstand The Complexity Of Its Spectrum, Thus Providing Much More Information About The Species. Tddft Has A Especially Strong Impact In The Photochemistry Of Biological Molecules, Where The Molecules Are Too Large To Be Handled By T- Ditional Quantum Chemical Methods, And Are Too Complex To Be Understood With Simple Empirical Frontier Orbital Theory.