Time-dependent natural orbitals and occupation numbers
نویسندگان
چکیده
منابع مشابه
Natural occupation numbers in two-electron quantum rings.
Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupa...
متن کاملPinning of fermionic occupation numbers.
The Pauli exclusion principle is a constraint on the natural occupation numbers of fermionic states. It has been suspected since at least the 1970s, and only proved very recently, that there is a multitude of further constraints on these numbers, generalizing the Pauli principle. Here, we provide the first analytic analysis of the physical relevance of these constraints. We compute the natural ...
متن کاملEvidence For The Occupation of “Hyper-Intruder” Orbitals
High-spin states in 108Cd were studied following the reaction 64Ni(48Ca,4n) at a beam energy of 207 MeV. Gamma rays were detected using the Gammasphere array. Two rotational bands have been observed at very high angular momentum. Measurements of fractional Doppler shifts yielded lower limits for the quadrupole moments and showed that the observed structures are at least as deformed as the super...
متن کاملOccupation numbers in Self Consistent RPA
A method is proposed which allows to calculate within the SCRPA theory the occupation numbers via the single particle Green function. This scheme complies with the Hugenholtz van Hove theorem. In an application to the Lipkin model it is found that this prescription gives consistently better results than two other commonly used approximations: lowest order boson expansion and the number operator...
متن کاملThe adiabatic approximation in time-dependent density matrix functional theory: response properties from dynamics of phase-including natural orbitals.
The adiabatic approximation is problematic in time-dependent density matrix functional theory. With pure density matrix functionals (invariant under phase change of the natural orbitals) it leads to lack of response in the occupation numbers, hence wrong frequency dependent responses, in particular α(ω→0)≠α(0) (the static polarizability). We propose to relinquish the requirement that the functi...
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: EPL (Europhysics Letters)
سال: 2010
ISSN: 0295-5075,1286-4854
DOI: 10.1209/0295-5075/92/23001