نتایج جستجو برای: electronic density distribution

تعداد نتایج: 1173593  

Journal: :حفاظت گیاهان 0
مکاریان مکاریان روحانی روحانی

abstract recent interest in describing the spatial distribution patterns of weeds through using interpolation methods has increased to estimate weed seedling density from spatially refferenced data and evaluation of applicable to site-specific weed management. in this research, a multi layer perceptron neural network (mlpnn) model was developed to predict the spatial distribution of h. glaucum ...

2012
Katharina Boguslawski Konrad H. Marti Örs Legeza Markus Reiher

We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution...

2009
Thierry Jecko Adolphe Chauvin

A new proof of the analyticity of the electronic density of molecules. Abstract We give a new, short proof of the regularity away from the nuclei of the electronic density of a molecule obtained in [FHHS1, FHHS2]. The new argument is based on the regularity properties of the Coulomb interactions underlined in [KMSW] and on well-known elliptic technics.

Journal: :medical journal of islamic republic of iran 0
nahid hatam department of health services management, school of management and medical informatics, shiraz university of medical scienc-es, shiraz, iran.سازمان اصلی تایید شده: دانشگاه شیراز (shiraz university) mohammadreza zakeri school of management and medical informatics, shiraz university of medical sciences, shiraz, iran.سازمان اصلی تایید شده: دانشگاه علوم پزشکی شیراز (shiraz university of medical sciences) ahmad sadeghi student research committee, shiraz university of medical sciences, shiraz, iran.سازمان اصلی تایید شده: دانشگاه علوم پزشکی شیراز (shiraz university of medical sciences) sajad darzi ramandi tehran university of medical sciences, tehran, iran.سازمان اصلی تایید شده: دانشگاه علوم پزشکی تهران (tehran university of medical sciences) ramin hayati student research committee, shiraz university of medical sciences, shiraz, iran.سازمان اصلی تایید شده: دانشگاه علوم پزشکی شیراز (shiraz university of medical sciences) elham siavashi student research committee, shiraz university of medical sciences, shiraz, iran.سازمان اصلی تایید شده: دانشگاه علوم پزشکی شیراز (shiraz university of medical sciences)

background: one of the important aspects of equity in health is equality in the distribution of resources in this sector. the present study aimed to assess the distribution of hospital beds in shiraz in 2014.   methods: in this retrospective cross-sectional study, the population density index and fair distribution of beds were analyzed by lorenz curve and gini coefficient, respectively. descrip...

2003
T T Tan S Li S P Lau Y Y Tay C Q Sun S H Zhou S X Dou

In this work, effects of varying mechanical deformations on the relationship between mesotexture and current percolation in (Bi, Pb)2Sr2Ca2Cu3O10+x (Bi2223) tapes are investigated. Electron backscattered diffraction analysis demonstrates that the mesotexture distribution characteristics influence critical current density (Jc) as results of the processing variations. The disorientation angle dis...

Journal: :The Journal of chemical physics 2012
Kenji Iida Hirofumi Sato

Ionization potential (ionization energy) is a fundamental quantity characterizing electronic structure of a molecule. It is known that the energy in solution phase is significantly different from that in the gas phase. In this report, vertical and adiabatic ionization processes in aqueous solution are studied based on a hybrid method of quantum chemistry and statistical mechanics called referen...

2014
Hiroki Wadati Kozo Okazaki Yasuhiro Niimi Atsushi Fujimori Hitoshi Tabata Jared Pikus James P. Lewis

Journal: :computational methods for differential equations 0
hossein bevrani university professor

the probability density functions fitting to the discrete probability functions has always been needed, and very important. this paper is fitting the continuous curves which are probability density functions to the binomial probability functions, negative binomial geometrics, poisson and hypergeometric. the main key in these fittings is the use of the derivative concept and common differential ...

علی مختاری, , مرضیه میرفندرسکی, , هادی اکبرزاده, ,

  The electronic and structural properties of CaS are calculated using full potential linearized augmented plane wave (FP-LAPW) method within the local density approximation (LDA) and generalized gradient approximation (GGA) for the exchange-correlation energy. For both structures, NaCl structure (B1) and CsCl structure (B2), the obtained values for lattice parameters, Bulk modulus and its pres...

A. A. Shokri, Z. Karimi

By employing the theoretical method based on tight-binding, we study electronic band structure of single-wall carbon nanotube (CNT) superlattices, which the system is the made of the junction between the zigzag and armchair carbon nanotubes. Exactly at the place of connection, it is appeared the pentagon–heptagon pairs as topological defect in carbon hexagonal network. The calculations are base...

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