Information entropy, information distances, and complexity in atoms.

نویسندگان

  • K Ch Chatzisavvas
  • Ch C Moustakidis
  • C P Panos
چکیده

Shannon information entropies in position and momentum spaces and their sum are calculated as functions of Z(2 < or = Z < or = 54) in atoms. Roothaan-Hartree-Fock electron wave functions are used. The universal property S = a + b ln Z is verified. In addition, we calculate the Kullback-Leibler relative entropy, the Jensen-Shannon divergence, Onicescu's information energy, and a complexity measure recently proposed. Shell effects at closed-shell atoms are observed. The complexity measure shows local minima at the closed-shell atoms indicating that for the above atoms complexity decreases with respect to neighboring atoms. It is seen that complexity fluctuates around an average value, indicating that the atom cannot grow in complexity as Z increases. Onicescu's information energy is correlated with the ionization potential. Kullback distance and Jensen-Shannon distance are employed to compare Roothaan-Hartree-Fock density distributions with other densities of previous works.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Evolution of Information and Complexity in an Ever-Expanding Universe

Using the usual definitions of information and entropy in quantum gravity and statistical mechanics and the existing views about the relation between information and complexity, we examine the evolution of complexity in an ever expanding universe.

متن کامل

A multi agent method for cell formation with uncertain situation, based on information theory

This paper assumes the cell formation problem as a distributed decision network. It proposes an approach based on application and extension of information theory concepts, in order to analyze informational complexity in an agent- based system, due to interdependence between agents. Based on this approach, new quantitative concepts and definitions are proposed in order to measure the amount of t...

متن کامل

Qualitative Assessment of Hydrometric Station Density Kermanshah Province Using the Discrete Entropy

Monitoring the quality parameters of the river is very important in the management of surface water resources. One of the effective methods in this field is entropy theory which has a very good capability in designing quality monitoring network. In this research, discrete entropy theory has been studied and monitored in order to qualitatively evaluate the temporal and spatial frequencies of the...

متن کامل

Information Distances versus Entropy Metric

Information distance has become an important tool in a wide variety of applications. Various types of information distance have been made over the years. These information distance measures are different from entropy metric, as the former is based on Kolmogorov complexity and the latter on Shannon entropy. However, for any computable probability distributions, up to a constant, the expected val...

متن کامل

Seven aspects of the information literacy experience and the complexity of the task: A review

Introduction: Information literacy experience focuses on the abilities of acquiring and using information in order to respond to customers and exchange information with other colleagues and use information in the workplace. As the task complexity increases, the experience of information literacy becomes important due to different information behaviors (ie, diversity and complexity of informatio...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • The Journal of chemical physics

دوره 123 17  شماره 

صفحات  -

تاریخ انتشار 2005