Stationarity of electron distribution in ground-state molecular systems
نویسندگان
چکیده
منابع مشابه
coordination of protective schemes in distribution and subtransmission systems including distributed generation
نصب منابع پراکنده در سیستم های توزیع و فوق توزیع علاوه بر مزیت های فراوان، مشکلاتی را هم به همراه دارد. یکی از این مشکلات تأثیر این منابع روی اندازه جریان های اتصال کوتاه است. به طور معمول از حفاظت های مبتنی بر اصل جریان زیاد در سیستم های توزیع و فوق توزیع استفاده می شود. از مهمترین طرح های حفاظتی استفاده شده در فیدرهای توزیع، حفاظت فیوز- ریکلوزر است. همچنین از طرح های حفاظتی جریان زیاد جهتی در...
Ground-state energy of the electron liquid in ultrathin wires.
The ground-state energy and the density correlation function of the electron liquid in a thin one-dimensional wire are computed. The calculation is based on an approximate mapping of the problem with a realistic Coulomb interaction law onto exactly solvable models of mathematical physics. This approach becomes asymptotically exact in the limit of a small wire radius but remains numerically accu...
متن کاملAccurate molecular van der Waals interactions from ground-state electron density and free-atom reference data.
We present a parameter-free method for an accurate determination of long-range van der Waals interactions from mean-field electronic structure calculations. Our method relies on the summation of interatomic C6 coefficients, derived from the electron density of a molecule or solid and accurate reference data for the free atoms. The mean absolute error in the C6 coefficients is 5.5% when compared...
متن کاملMolecular ionization energies and ground- and ionic-state properties using a non-Dyson electron propagator approach.
An earlier proposed propagator method for the treatment of molecular ionization is tested in first applications. The method referred to as the non-Dyson third-order algebraic-diagrammatic construction [nD-ADC(3)] approximation for the electron propagator represents a computationally promising alternative to the existing Dyson ADC(3) method. The advantage of the nD-ADC(3) scheme is that the (N+/...
متن کاملElectron scattering from the ground state of mercury
We give a short review of e-Hg scattering and present some results of our recent closecoupling calculations. We look at the challenges facing theorists in the calculation of elastic scattering and excitation of the 6s6p P1 levels. INTRODUCTION In the field of electron-atom scattering the e-Hg collision systems is one of more interesting and important cases. Mercury is an important constituent o...
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: Journal of Mathematical Chemistry
سال: 2013
ISSN: 0259-9791,1572-8897
DOI: 10.1007/s10910-013-0153-8