Cargando…
Density-functional theory of atoms and molecules /
This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of t...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
New York : Oxford [England] :
Oxford University Press ; Clarendon Press,
1989.
|
| Colección: | International series of monographs on chemistry ;
16. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
| LEADER | 00000cam a2200000Ma 4500 | ||
|---|---|---|---|
| 001 | EBSCO_ocn226376738 | ||
| 003 | OCoLC | ||
| 005 | 20231017213018.0 | ||
| 006 | m o d | ||
| 007 | cr cn||||||||| | ||
| 008 | 940505s1989 nyua ob 001 0 eng d | ||
| 010 | |z 88025157 | ||
| 040 | |a COCUF |b eng |e pn |c COCUF |d OCLCG |d OCLCQ |d N$T |d YDXCP |d OCLCQ |d DKDLA |d ADU |d E7B |d OCLCQ |d OCLCF |d OCLCO |d OCLCQ |d AZK |d LOA |d COCUF |d AGLDB |d MOR |d PIFBR |d OCLCA |d OCLCQ |d U3W |d STF |d WRM |d VTS |d NRAMU |d EZ9 |d INT |d VT2 |d OCLCQ |d WYU |d OCLCQ |d YDX |d VLY |d OCLCO |d QGK |d OCLCO |d INARC |d OCLCQ |d SFB |d OCLCQ | ||
| 019 | |a 72567875 |a 473438925 |a 488645865 |a 615004690 |a 647577059 |a 722508833 |a 888812122 |a 961569897 |a 962605762 |a 966202862 |a 988481456 |a 991956270 |a 1035704494 |a 1037734340 |a 1038679253 |a 1045519189 |a 1046997800 |a 1055378317 |a 1066604983 |a 1081286006 |a 1111173206 |a 1151747532 |a 1153006391 |a 1162197540 |a 1183862080 |a 1228559408 |a 1241882076 |a 1259218010 | ||
| 020 | |a 0195092767 | ||
| 020 | |a 9780195092769 | ||
| 020 | |a 0195042794 |q (alk. paper) | ||
| 020 | |a 9780195042795 |q (alk. paper) | ||
| 020 | |a 1429406062 |q (electronic bk.) | ||
| 020 | |a 9781429406062 |q (electronic bk.) | ||
| 020 | |a 0199878722 | ||
| 020 | |a 9780199878727 | ||
| 020 | |a 9786610527700 | ||
| 020 | |a 6610527709 | ||
| 020 | |a 0195357736 | ||
| 020 | |a 9780195357738 | ||
| 020 | |a 0197560709 | ||
| 020 | |a 9780197560709 | ||
| 029 | 1 | |a AU@ |b 000053249488 | |
| 029 | 1 | |a AU@ |b 000060819938 | |
| 029 | 1 | |a DEBBG |b BV043125073 | |
| 029 | 1 | |a DEBSZ |b 422249963 | |
| 029 | 1 | |a NZ1 |b 12438129 | |
| 035 | |a (OCoLC)226376738 |z (OCoLC)72567875 |z (OCoLC)473438925 |z (OCoLC)488645865 |z (OCoLC)615004690 |z (OCoLC)647577059 |z (OCoLC)722508833 |z (OCoLC)888812122 |z (OCoLC)961569897 |z (OCoLC)962605762 |z (OCoLC)966202862 |z (OCoLC)988481456 |z (OCoLC)991956270 |z (OCoLC)1035704494 |z (OCoLC)1037734340 |z (OCoLC)1038679253 |z (OCoLC)1045519189 |z (OCoLC)1046997800 |z (OCoLC)1055378317 |z (OCoLC)1066604983 |z (OCoLC)1081286006 |z (OCoLC)1111173206 |z (OCoLC)1151747532 |z (OCoLC)1153006391 |z (OCoLC)1162197540 |z (OCoLC)1183862080 |z (OCoLC)1228559408 |z (OCoLC)1241882076 |z (OCoLC)1259218010 | ||
| 050 | 4 | |a QC176.8.E4 |b P37 1989eb | |
| 072 | 7 | |a SCI |x 077000 |2 bisacsh | |
| 072 | 7 | |a PHM |2 bicssc | |
| 072 | 7 | |a PHQ |2 bicssc | |
| 072 | 7 | |a PNRH |2 bicssc | |
| 072 | 7 | |a PNRP |2 bicssc | |
| 082 | 0 | 4 | |a 530.4/1 |2 22 |
| 084 | |a 33.71 |2 bcl | ||
| 084 | |a 35.11 |2 bcl | ||
| 084 | |a UL 2000 |2 rvk | ||
| 084 | |a UM 1200 |2 rvk | ||
| 084 | |a VE 5650 |2 rvk | ||
| 084 | |a CHE 150f |2 stub | ||
| 049 | |a UAMI | ||
| 100 | 1 | |a Parr, Robert G., |d 1921-2017. | |
| 245 | 1 | 0 | |a Density-functional theory of atoms and molecules / |c Robert G. Parr and Weitao Yang. |
| 260 | |a New York : |b Oxford University Press ; |a Oxford [England] : |b Clarendon Press, |c 1989. | ||
| 300 | |a 1 online resource (ix, 333 pages) : |b illustrations. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 347 | |a data file |2 rda | ||
| 490 | 1 | |a International series of monographs on chemistry ; |v 16 | |
| 504 | |a Includes bibliographical references (pages 285-317 and indexes). | ||
| 588 | 0 | |a Print version record. | |
| 505 | 0 | |a 1. Elementary Wave Mechanics -- 2. Density Matrices -- 3. Density-Functional Theory -- 4. The Chemical Potential -- 5. Chemical Potential Derivatives -- 6. Thomas-Fermi and Related Models -- 7. The Kohn-Sham Method: Basic Principles -- 8. The Kohn-Sham Method: Elaboration -- 9. Extensions -- 10. Aspects of Atoms and Molecules -- 11. Miscellany. | |
| 520 | |a This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. | ||
| 590 | |a eBooks on EBSCOhost |b EBSCO eBook Subscription Academic Collection - Worldwide | ||
| 650 | 0 | |a Electronic structure. | |
| 650 | 0 | |a Density functionals. | |
| 650 | 0 | |a Quantum theory. | |
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 2 | |a Quantum Theory | |
| 650 | 6 | |a Structure électronique. | |
| 650 | 6 | |a Fonctionnelles densité. | |
| 650 | 6 | |a Théorie quantique. | |
| 650 | 6 | |a Chimie quantique. | |
| 650 | 7 | |a SCIENCE |x Physics |x Condensed Matter. |2 bisacsh | |
| 650 | 7 | |a Density functionals. |2 fast |0 (OCoLC)fst00890362 | |
| 650 | 7 | |a Electronic structure. |2 fast |0 (OCoLC)fst00907474 | |
| 650 | 7 | |a Quantum chemistry. |2 fast |0 (OCoLC)fst01085086 | |
| 650 | 7 | |a Quantum theory. |2 fast |0 (OCoLC)fst01085128 | |
| 650 | 7 | |a Atom |2 gnd | |
| 650 | 7 | |a Dichtefunktional |2 gnd | |
| 650 | 7 | |a Dichtefunktionalformalismus |2 gnd | |
| 650 | 7 | |a Elektronenstruktur |2 gnd | |
| 650 | 7 | |a Molekül |2 gnd | |
| 650 | 7 | |a Quantenchemie |2 gnd | |
| 650 | 7 | |a Quantentheorie |2 gnd | |
| 650 | 1 | 7 | |a Atomen. |2 gtt |
| 650 | 1 | 7 | |a Moleculen. |2 gtt |
| 650 | 1 | 7 | |a Elektronenstructuur. |2 gtt |
| 650 | 1 | 7 | |a Elektronendichtheid. |2 gtt |
| 650 | 7 | |a Structure électronique. |2 ram | |
| 650 | 7 | |a Chimie quantique. |2 ram | |
| 650 | 7 | |a Théorie quantique. |2 ram | |
| 653 | |a Chemistry |a Quantum theory | ||
| 700 | 1 | |a Yang, Weitao. | |
| 776 | 0 | 8 | |i Print version: |a Parr, Robert G., 1921- |t Density-functional theory of atoms and molecules. |d New York : Oxford University Press ; Oxford [England] : Clarendon Press, 1989 |w (DLC) 88025157 |
| 830 | 0 | |a International series of monographs on chemistry ; |v 16. | |
| 856 | 4 | 0 | |u https://ebsco.uam.elogim.com/login.aspx?direct=true&scope=site&db=nlebk&AN=169751 |z Texto completo |
| 938 | |a Internet Archive |b INAR |n densityfunctiona0000parr | ||
| 938 | |a ebrary |b EBRY |n ebr10142365 | ||
| 938 | |a EBSCOhost |b EBSC |n 169751 | ||
| 938 | |a YBP Library Services |b YANK |n 2484451 | ||
| 938 | |a YBP Library Services |b YANK |n 2875506 | ||
| 938 | |a YBP Library Services |b YANK |n 12393182 | ||
| 994 | |a 92 |b IZTAP | ||