'Functional theory' diaporamas de présentation

Time-dependent density-functional theory

Carsten A. Ullrich University of Missouri-Columbia. Time-dependent density-functional theory. Neepa T. Maitra Hunter College, CUNY. APS March Meeting 2008, New Orleans. Outline. 1. A survey of time-dependent phenomena 2. Fundamental theorems in TDDFT 3. Time-dependent Kohn-Sham equation

1.34k views • 98 slides

??? ?????? ( ???? ) 28 Aug, 2003, ????

Introduction to LDA+U method and applications to transition-metal oxides: Importance of on-site Coulomb interaction U. ??? ?????? ( ???? ) 28 Aug, 2003, ????. Outline. DFT, LDA (LDA, LSDA, GGA) Insufficiencies of LDA How to improve LDA Self-interaction correction (SIC) LDA+U method

901 views • 68 slides

Elemental Plutonium: Electrons at the Edge

Elemental Plutonium: Electrons at the Edge. Gabriel Kotliar Physics Department and Center for Materials Theory Rutgers University. SFU September 2003. Outline , Collaborators, References. Los Alamos Science,26, (2000)

797 views • 67 slides

CHEM 938: Density Functional Theory

CHEM 938: Density Functional Theory. Basics of DFT. January 21, 2010. Density Functional Theory. density functional theory treats the electron density quantum mechanically. currently density functional theory (DFT) calculations are the most common type of quantum chemical calculation.

1.36k views • 48 slides

Text Summarization

Jagadish M(07305050) ? Annervaz K M (07305063) ? Joshi Prasad(07305047) ? Ajesh Kumar S(07305065) ? Shalini Gupta(07305R02) ?. Text Summarization. Introduction. Summary: Brief but accurate representation of the contents of a document

847 views • 45 slides

Density Functional Theory And Time Dependent Density Functional Theory

Density Functional Theory And Time Dependent Density Functional Theory . (DFT & TDFT). PRESENTED TO: DR.IRFAN. PRESENTED BY: MALEEHA QASIM MUHAMMAD ZAIN AKRAM. Background:. 1920s : Introduction of the Thomas-Fermi model. 1964 : Hohenberg-Kohn paper proving existence of exact DF.

1.18k views • 36 slides

Scientific Computations on Modern Parallel Vector Systems

Scientific Computations on Modern Parallel Vector Systems. Leonid Oliker Computer Staff Scientist Future Technologies Group Computational Research Division Lawrence Berkeley National Laboratories loliker@lbl.gov http://crd.lbl.gov/~oliker/paperlinks.html. Overview.

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Graphene Membrane for Gas Separation

Group 3: Krista Melish , Phillip Keller, James Kancewick , Micheal Jones. Graphene Membrane for Gas Separation. Gas Separation in Industry. Hydrogen separation From Nitrogen in ammonia plants From hydrocarbons in petrochemical applications CO 2 and water removal from natural gas

1.65k views • 32 slides

Family-Focused Medical-Surgical Nursing

Family-Focused Medical-Surgical Nursing. By Nataliya Haliyash, MD,PhD,MSN Ternopil State Medical University Institute of Nursing.

503 views • 30 slides

Quantum Chemistry and Reaction Dynamics

Quantum Chemistry and Reaction Dynamics. Jeff Nichols, Deputy Director WR Wiley Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352. Dr. Robert J. Harrison, Pacific Northwest National Laboratory

574 views • 28 slides

Joint Project : K ai Guo , Ulrich Schwarz, MPI CPfS Rainer Niewa, Dieter Rau, Univ. Stuttgart

High- pressure -high- temperature synthesis , characterization and q uantum-chemical calculations of metal nitrides. Joint Project : K ai Guo , Ulrich Schwarz, MPI CPfS Rainer Niewa, Dieter Rau, Univ. Stuttgart Richard Dronskowski , RWTH Univ. Aachen. 28. 09. 2012. Outline.

411 views • 28 slides

The DFT-calculation of Potassium doped Picene

The DFT-calculation of Potassium doped Picene. Kotaro Yamada Kusakabe labolatory. C ontents. Introduction . ? experimental article ? what I can do ? How to Main part. ??? As a result ? output datum of K 3 Picene. ? output datum of K 2 Picene Summary & Future work. introduction.

469 views • 26 slides

Conflict Theory Introduction

1.74k views • 23 slides

Intrinsic Dipole Moment Measurement of Bioinspired Macromolecules

Intrinsic Dipole Moment Measurement of Bioinspired Macromolecules. Aleksandr A. Gerasimenko 1 , Brent Millare 1 , Duoduo Bao 1 , M. Khalid Ashraf 2 , Roger Lake 2 and Valentine I. Vullev 1 1 Department of Bioengineering, University of California, Riverside, CA 92521

498 views • 18 slides

Density Functional Theory

666 views • 13 slides

Spin order in correlated electron systems

Spin order in correlated electron systems. Yukawa Institute for Theoretical Physics Zhi Li. Outline. Variety of spin order in condens ed matter 1.1 Collinear spin order 1.2 Non-collinear spin order Theory and calculation 2.1 The form of wave function

257 views • 10 slides

Automation, robotics, brains, and a new theory of Physics Sergio Pissanetzky

1. Automation, robotics, brains, and a new theory of Physics Sergio Pissanetzky Sergio@SciControls.com. 2. C omplex systems with a detailed dynamics Too detailed for Statistical Mechanics or n on-linear Dynamics. Examples: -- adaptive systems: brain, organisms, organs, species.

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Isomeric beams at CARIBU

Isomeric beams at CARIBU. ATLAS Users Meeting 2014. May 15, 2014. Ching-Yen Wu. Outline. Motivation and experimental approach Initial focus A case study in details Summary. Physics motivation. Evolution of nuclear quadrupole collectivity

149 views • 7 slides

Functional Theory of Social Stratification

Functional Theory of Social Stratification. Basic assumption: Social inequality is universal, therefore inequality must help society survive. Aspects of Functionalism. Society must make certain that all roles are filled. Some roles are more important than others.

488 views • 6 slides

Morphological and Spatial Aspects in Polymer Degradation: From Heterophasic Polymers to Proton Exchange Membranes Used i

Morphological and Spatial Aspects in Polymer Degradation: From Heterophasic Polymers to Proton Exchange Membranes Used in Fuel Cells. (A) (B) (C) . 0 mm. 4 mm. Depth / a.u. Shulamith Schlick University of Detroit Mercy DMR 04125582 .

168 views • 2 slides