2024-03-29T08:40:28Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/979472016-02-18T03:06:10Zcom_10261_115com_10261_3col_10261_1250
00925njm 22002777a 4500
dc
Marques, Miguel A. L.
author
Rubio, Angel
author
2006
Let us imagine a young student (or a not so young professor who still has time to do research by him- or herself) who wants to make an ab-initio study of the excitation properties of one of those fashionable nanostructures that fill high-impact journals nowadays. The student has heard of TDDFT, and believes that it’s just the right tool for the job. The first thing to do is to make sure that his fancy molecule is not part of the set of the difficult, “pathological” cases – not a bulk semiconductor, check!; the system does not involve charge-transfer excitations, check!; not a “strongly-correlated” system, check! As everything looks fine, the student starts the quest to find an adequate computer program to use in his or her research.
Time-Dependent Density Functional Theory (Cap.15): 227-240 (2006)
978-3-540-35422-2
http://hdl.handle.net/10261/97947
10.1007/3-540-35426-3_15
Time versus frequency space techniques