The electronic nonadiabatic coupling term: Can it be ignored in dynamic calculations?
نویسندگان
چکیده
منابع مشابه
The electronic nonadiabatic coupling term: can it be ignored in dynamic calculations?
Whereas the search for the degeneracy points which are better known as conical intersections (or ci-points) is usually carried out with a lot of devotion, the nonadiabatic coupling terms (NACTs) which together with the adiabatic potential energy surfaces appear in the nuclear Born-Oppenheimer-Schrodinger equation are ignored in most dynamical calculations. In the present article we consider two...
متن کاملMalassezia—Can it be Ignored?
Genus Malassezia comprises of 14 species of "yeast like fungi," 13 of which are lipophilic and 1 is nonlipophilic. They are known commensals and in predisposed individuals they commonly cause a spectrum of chronic recurrent infections. They rarely also cause serious illnesses like catheter-related blood stream infections, CAPD associated peritonitis etc., Though these fungi have been known to m...
متن کاملElectronic paper - can it be real ?
Some people have used the phrase 'electronic paper' to suggest that electronic information displays may replace the printed page. Progress towards the ideal of electronic paper is reviewed along several dimensions: the technologies, such as the display surface, the appearance, such as the page layout, and the function, such as the styles of interaction, that are currently available and may beco...
متن کاملRidesharing in Muscat: Can it be a Sustainable Solution for the Traffic Congestion?
We deal with developing a Decision Support System (DSS) to promote the ridesharing among both students and staff of a big organization. The DSS includes a set of functions that allow the management of the riders’ requests and drivers’ availability and embeds a novel two-phase optimization approach that helps in defining the optimal riders-drivers matching. The first phase consists o...
متن کاملSmall proteins can no longer be ignored.
Small proteins, here defined as proteins of 50 amino acids or fewer in the absence of processing, have traditionally been overlooked due to challenges in their annotation and biochemical detection. In the past several years, however, increasing numbers of small proteins have been identified either through the realization that mutations in intergenic regions are actually within unannotated small...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2007
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2806167