Theoretical and computational developments in modern density functional theory:
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
New York
Nova Science Publishers
2012
|
| Schriftenreihe: | Physics research and technology
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Includes bibliographical references and index Erscheint: Juni 2012 |
| Beschreibung: | XIII, 598 S. |
| ISBN: | 9781619427792 |
Internformat
MARC
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| 020 | |a 9781619427792 |c hardcover |9 978-1-61942-779-2 | ||
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| 035 | |a (DE-599)BVBBV040360346 | ||
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| 245 | 1 | 0 | |a Theoretical and computational developments in modern density functional theory |c Amlan K. Roy, ed. |
| 264 | 1 | |a New York |b Nova Science Publishers |c 2012 | |
| 300 | |a XIII, 598 S. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 0 | |a Physics research and technology | |
| 500 | |a Includes bibliographical references and index | ||
| 500 | |a Erscheint: Juni 2012 | ||
| 650 | 4 | |a Density functionals | |
| 650 | 4 | |a Functional analysis | |
| 650 | 0 | 7 | |a Dichtefunktionalformalismus |0 (DE-588)4258514-4 |2 gnd |9 rswk-swf |
| 689 | 0 | 0 | |a Dichtefunktionalformalismus |0 (DE-588)4258514-4 |D s |
| 689 | 0 | |5 DE-604 | |
| 700 | 1 | |a Roy, Amlan K. |e Sonstige |4 oth | |
| 856 | 4 | 2 | |m Digitalisierung UB Bayreuth |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=025214202&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-025214202 | ||
Datensatz im Suchindex
| _version_ | 1804149401463029760 |
|---|---|
| adam_text | Contents
Preface
Chapter
1
Density Functional Theory: From Fundamental Precepts
to Nonlocal Exchange- Correlation Functionals
Rogelio
Cuevas-Saavedra and Paul W. Ayers
Chapter
2
Recent Progress towards Improved Exchange-Correlation
Density-Functionals
Pietro Cortona
Chapter
3
Constrained Optimized Effective Potential Approach
for Excited States
V.
N.
Glushkov and X. Assfeld
Chapter
4
Time Dependent Density Functional Theory of Core Electron
Excitations: From Implementation to Applications
Mauro Stener, Giovanna Fronzoni
and
Renato De
Francesco
Chapter
5
Time Dependent Density Functional Theory Calculations
of Core Excited States
Nicholas A. Besley
Chapter
6
Density Functional Approach to Many-Electron Systems:
The Local-Scaling-Transformation Formulation
Eugene S. Kryachko
Chapter
7
Electron Density Scaling
-
An Extension to Multi-component
Density Functional Theory
A. Nagy
Chapter
8
A Symmetry Preserving Kohn-Sham Theory
Andreas K. Theophilou
Chapter
9
Self-Interaction Correction in the Kohn-Sham Framework
T. Körzdörfer
and S.
Kummel
vii
1
41
61
103
149
169
189
201
211
vi
Editors
Chapter
10 Hohenberg-Kohn, Kohn-Sham,
and Quantal Density Functional
223
Theories in the Presence of a Magnetostatic Field
Xiao-Yin Pan and
Viraht Sahni
Chapter
11
The Construction of Kinetic Energy Functionals
255
and the Linear Response Function
David
García-Aldea
and
J.
E. Alvarellos
Chapter
12
Variational Fitting in Auxiliary Density Functional Theory
281
Victor Daniel
Domínguez Soria,
Patrizia Calamìnìcì
and
Andreas
M.
Köster
Chapter
13
Wavelets for Density-Functional Theory and Post-Density-
313
Functional-Theory Calculationss
Bhaarathi Natarajan, Mark E.
Casida,
Luigi Genovese
and Thierry
Deutsch
Chapter
14
Time-Dependent Density Functional Theoretical Methods
357
for Treatment of Many-Electron Molecular Systems
in Intense Laser Fields
Dmitry A. Telnov, John T.
Heslař
and Shih-I
Chu
Chapter
15
A Hierarchical Approach for the Dynamics of Na Clusters
391
in Contact with an
Ar
Substrate
P. M. Dinh, J. Douady,
F. Fehrer, B. Gervais,
E. Giglio,
A. Ipatov, P. G.
Reinhard and
E.
Suraud
Chapter
16
Atoms and Molecules in Strong Magnetic Fields
425
M. Sadhukhan and B. M. Deb
Chapter
17
Chemical Reactivity and Biological Activity Criteria from DFT
449
Parabolic Dependency E=E(N)
Mihai V.
Putz
Chapter
18
Effect of a Uniform Electric Field on Atomic
485
and Molecular Systems
Santanu Sengupta, Munmun Khatua
and
Pratim
Kumar Chattaraj
Chapter
19
A Quantum Potential Based Density Functional Treatment
505
of the Quantum Signature aof Classical Nonintegrability
Arup Banerjee,
Арата
Chakrabarti, C. Kama!
and
Tapan
K. Ghanty
Chapter
20
Properties of Nanomaterials from First Principles Study
527
Arup Banerjee, Aparna Chakrabarti, C. Kama!
and
Tapan
К.
Ghanty
Preface
vii
Chapter
21
The Role of Metastable
Ani
ons
in the Computation
549
of the Acceptor Fukui Function
Nelly
Gonzalez-Rivas,
Mariano
Méndez
and
Andrés Cedillo
Chapter
22
Kinetic-Energy/Fisher-Information Indicators of Chemical Bonds
561
Roman F. Nalewajski,
Piotr
de Silva
and
Janusz Mrozek
Index
589
|
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| dewey-ones | 515 - Analysis |
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| discipline | Physik Mathematik |
| format | Book |
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| id | DE-604.BV040360346 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T00:22:27Z |
| institution | BVB |
| isbn | 9781619427792 |
| language | English |
| lccn | 2011052310 |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-025214202 |
| oclc_num | 812218416 |
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| owner | DE-703 |
| owner_facet | DE-703 |
| physical | XIII, 598 S. |
| publishDate | 2012 |
| publishDateSearch | 2012 |
| publishDateSort | 2012 |
| publisher | Nova Science Publishers |
| record_format | marc |
| series2 | Physics research and technology |
| spelling | Theoretical and computational developments in modern density functional theory Amlan K. Roy, ed. New York Nova Science Publishers 2012 XIII, 598 S. txt rdacontent n rdamedia nc rdacarrier Physics research and technology Includes bibliographical references and index Erscheint: Juni 2012 Density functionals Functional analysis Dichtefunktionalformalismus (DE-588)4258514-4 gnd rswk-swf Dichtefunktionalformalismus (DE-588)4258514-4 s DE-604 Roy, Amlan K. Sonstige oth Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=025214202&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Theoretical and computational developments in modern density functional theory Density functionals Functional analysis Dichtefunktionalformalismus (DE-588)4258514-4 gnd |
| subject_GND | (DE-588)4258514-4 |
| title | Theoretical and computational developments in modern density functional theory |
| title_auth | Theoretical and computational developments in modern density functional theory |
| title_exact_search | Theoretical and computational developments in modern density functional theory |
| title_full | Theoretical and computational developments in modern density functional theory Amlan K. Roy, ed. |
| title_fullStr | Theoretical and computational developments in modern density functional theory Amlan K. Roy, ed. |
| title_full_unstemmed | Theoretical and computational developments in modern density functional theory Amlan K. Roy, ed. |
| title_short | Theoretical and computational developments in modern density functional theory |
| title_sort | theoretical and computational developments in modern density functional theory |
| topic | Density functionals Functional analysis Dichtefunktionalformalismus (DE-588)4258514-4 gnd |
| topic_facet | Density functionals Functional analysis Dichtefunktionalformalismus |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=025214202&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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