Advances in quantum Monte Carlo:
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Washington, DC
American Chemical Society
2007
|
| Schriftenreihe: | ACS symposium series
953 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Includes bibliographical references and indexes |
| Beschreibung: | x, 188 p. ill., graph. Darst. 24 cm |
| ISBN: | 0841274169 9780841274167 |
Internformat
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| 245 | 1 | 0 | |a Advances in quantum Monte Carlo |c James B. Anderson, ed. ... |
| 264 | 1 | |a Washington, DC |b American Chemical Society |c 2007 | |
| 300 | |a x, 188 p. |b ill., graph. Darst. |c 24 cm | ||
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| 650 | 4 | |a Monte-Carlo, Méthode de - Congrès | |
| 650 | 4 | |a Quantentheorie | |
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Datensatz im Suchindex
| _version_ | 1804137940043956224 |
|---|---|
| adam_text | Contents
Preface
.............................................................................................................
¡χ
1. Quantum Monte Carlo Calculations
for
Helium Dimers
and Trimers................................................................................................1
Matthew C. Wilson and James B. Anderson
2.
Energies and Properties of the Hydrogen Molecular Ion
..................... 15
S. A. Alexander and R. L. Coldwell
3.
Accuracy of a Random Walk-Based Approach
in the Determination of Equilibrium Bond Lengths and
Harmonic Frequencies for Some Doublet First-Row
Diatomic Radicals
....................................................................................29
Shih-I
Lu
4.
Rydberg
States with Quantum Monte Carlo
.........................................43
Annika
Bande
and
Ame Lüchow
5.
Linear-Scaling Evaluation of the Local Energy in Quantum
Montecarlo
..............................................................................................55
Brian Austin,
Alán
Aspura-Guzik,
Romelia
Salomón-Ferrer,
and William A. Lester, Jr.
6.
Electronic Quantum Monte Carlo Calculations of Energies
and Atomic Forces for Diatomic and Polyatomic Molecules
................ 69
Mytmg Won Lee, Massimo
Mella,
and Andrew M.
Rappe
7.
The Fixed Hypernode Method for the Solution of the Many
Body Schroedinger Equation
..................................................................81
F. Pederiva, M. H.
Kalos, F.
Reboredo.
D. Bressanini,
D.
Guciu,
L.
Colletti,
and C. J.
Umrigar
vii
8.
Recent
Progress in Fermion Monte Carlo
.............................................93
M. H.
Kalos
and F. Pederiva
9.
Quantum Effects in Loosely Bound Complexes
..................................101
Meredith J. T. Jordan, Deborah L. Crittenden,
and Keiran C. Thompson
10. Ab Initio
Biomolecular Calculations Using Quantum
Monte Carlo Combined with the Fragment Molecular
Orbital Method
......................................................................................141
Ryo Maezono, Hirofumi Watanabe, and Shigenori Tanaka
11.
Vibrational Excited States by Diffusion Monte Carlo
........................147
Anne B. McCoy
12.
Rotations and Exchange in Doped Helium Clusters:
Insight from Imaginary-Time Correlation Functions
........................165
Nicholas Blinov and Pierre-Nicholas Roy
Indexes
Author Index
.................................................................................................179
Subject Index
.................................................................................................181
viii
|
| adam_txt |
Contents
Preface
.
¡χ
1. Quantum Monte Carlo Calculations
for
Helium Dimers
and Trimers.1
Matthew C. Wilson and James B. Anderson
2.
Energies and Properties of the Hydrogen Molecular Ion
. 15
S. A. Alexander and R. L. Coldwell
3.
Accuracy of a Random Walk-Based Approach
in the Determination of Equilibrium Bond Lengths and
Harmonic Frequencies for Some Doublet First-Row
Diatomic Radicals
.29
Shih-I
Lu
4.
Rydberg
States with Quantum Monte Carlo
.43
Annika
Bande
and
Ame Lüchow
5.
Linear-Scaling Evaluation of the Local Energy in Quantum
Montecarlo
.55
Brian Austin,
Alán
Aspura-Guzik,
Romelia
Salomón-Ferrer,
and William A. Lester, Jr.
6.
Electronic Quantum Monte Carlo Calculations of Energies
and Atomic Forces for Diatomic and Polyatomic Molecules
. 69
Mytmg Won Lee, Massimo
Mella,
and Andrew M.
Rappe
7.
The Fixed Hypernode Method for the Solution of the Many
Body Schroedinger Equation
.81
F. Pederiva, M. H.
Kalos, F.
Reboredo.
D. Bressanini,
D.
Guciu,
L.
Colletti,
and C. J.
Umrigar
vii
8.
Recent
Progress in Fermion Monte Carlo
.93
M. H.
Kalos
and F. Pederiva
9.
Quantum Effects in Loosely Bound Complexes
.101
Meredith J. T. Jordan, Deborah L. Crittenden,
and Keiran C. Thompson
10. Ab Initio
Biomolecular Calculations Using Quantum
Monte Carlo Combined with the Fragment Molecular
Orbital Method
.141
Ryo Maezono, Hirofumi Watanabe, and Shigenori Tanaka
11.
Vibrational Excited States by Diffusion Monte Carlo
.147
Anne B. McCoy
12.
Rotations and Exchange in Doped Helium Clusters:
Insight from Imaginary-Time Correlation Functions
.165
Nicholas Blinov and Pierre-Nicholas Roy
Indexes
Author Index
.179
Subject Index
.181
viii |
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| index_date | 2024-07-02T21:45:41Z |
| indexdate | 2024-07-09T21:20:16Z |
| institution | BVB |
| isbn | 0841274169 9780841274167 |
| language | English |
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| physical | x, 188 p. ill., graph. Darst. 24 cm |
| publishDate | 2007 |
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| series2 | ACS symposium series |
| spelling | Advances in quantum Monte Carlo James B. Anderson, ed. ... Washington, DC American Chemical Society 2007 x, 188 p. ill., graph. Darst. 24 cm txt rdacontent n rdamedia nc rdacarrier ACS symposium series 953 Includes bibliographical references and indexes Chimie quantique - Congrès Monte-Carlo, Méthode de - Congrès Quantentheorie Monte Carlo method Congresses Quantum chemistry Congresses Quantum theory Congresses Quantentheorie (DE-588)4047992-4 gnd rswk-swf Quantenchemie (DE-588)4047979-1 gnd rswk-swf Monte-Carlo-Simulation (DE-588)4240945-7 gnd rswk-swf (DE-588)1071861417 Konferenzschrift 2005 Honululu gnd-content Quantentheorie (DE-588)4047992-4 s DE-604 Quantenchemie (DE-588)4047979-1 s Monte-Carlo-Simulation (DE-588)4240945-7 s 1\p DE-604 Anderson, James B. Sonstige oth ACS symposium series 953 (DE-604)BV000003091 953 Digitalisierung UB Regensburg application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016685781&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Advances in quantum Monte Carlo ACS symposium series Chimie quantique - Congrès Monte-Carlo, Méthode de - Congrès Quantentheorie Monte Carlo method Congresses Quantum chemistry Congresses Quantum theory Congresses Quantentheorie (DE-588)4047992-4 gnd Quantenchemie (DE-588)4047979-1 gnd Monte-Carlo-Simulation (DE-588)4240945-7 gnd |
| subject_GND | (DE-588)4047992-4 (DE-588)4047979-1 (DE-588)4240945-7 (DE-588)1071861417 |
| title | Advances in quantum Monte Carlo |
| title_auth | Advances in quantum Monte Carlo |
| title_exact_search | Advances in quantum Monte Carlo |
| title_exact_search_txtP | Advances in quantum Monte Carlo |
| title_full | Advances in quantum Monte Carlo James B. Anderson, ed. ... |
| title_fullStr | Advances in quantum Monte Carlo James B. Anderson, ed. ... |
| title_full_unstemmed | Advances in quantum Monte Carlo James B. Anderson, ed. ... |
| title_short | Advances in quantum Monte Carlo |
| title_sort | advances in quantum monte carlo |
| topic | Chimie quantique - Congrès Monte-Carlo, Méthode de - Congrès Quantentheorie Monte Carlo method Congresses Quantum chemistry Congresses Quantum theory Congresses Quantentheorie (DE-588)4047992-4 gnd Quantenchemie (DE-588)4047979-1 gnd Monte-Carlo-Simulation (DE-588)4240945-7 gnd |
| topic_facet | Chimie quantique - Congrès Monte-Carlo, Méthode de - Congrès Quantentheorie Monte Carlo method Congresses Quantum chemistry Congresses Quantum theory Congresses Quantenchemie Monte-Carlo-Simulation Konferenzschrift 2005 Honululu |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016685781&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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