Monte Carlo Simulation of DNMR spectra of coupled spin systems

被引：7

作者：

Szalay, Zsofia ^{[1
]}

Rohonczy, Janos ^{[1
]}

机构：

[1] Eotvos Lorand Univ, Inst Chem, Dept Inorgan Chem, H-1518 Budapest, Hungary

来源：

JOURNAL OF MAGNETIC RESONANCE | 2008年 / 191卷 / 01期

关键词：

DNMR; dynamic NMR; spectrum simulation; Monte Carlo method; lineshape analysis;

D O I：

10.1016/j.jmr.2007.12.002

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A new program MC-DNMR is presented for the simulation of dynamic nuclear magnetic resonance spectra. The algorithm is a Monte Carlo type method based on the extension of single spin vector model to coupled spin systems. This extension is explained in detail and the theory is justified by examples. The main advantage of this program is the significantly smaller sizes of matrices than that in programs based on density matrix theory. So spectra of systems can be simulated that was impossible previously. (C) 2007 Elsevier Inc. All rights reserved.

引用

页码：56 / 65

页数：10

共 50 条

[1] Kinetic Monte Carlo Simulation of DNMR Spectra
Szalay, Zsofia
Rohonczy, Janos
ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 73, 2011, 73 : 175 - 215
[2] Simulation of DNMR spectra using propagator formalism and Monte Carlo method
Szalay, Zsofia
Rohonczy, Janos
JOURNAL OF MAGNETIC RESONANCE, 2009, 197 (01) : 48 - 55
[3] Monte Carlo simulation of critical dynamic spin systems
Schulke, L
Zheng, B
NEW APPROACHES TO HIGH-TECH MATERIALS: NONDESTRUCTIVE TESTING AND COMPUTER SIMULATIONS IN MATERIALS SCIENCE AND ENGINEERING, 1998, 3345 : 98 - 105
[4] MONTE-CARLO SIMULATION FOR QUANTUM SPIN SYSTEMS
HOMMA, S
MATSUDA, H
OGITA, N
PROGRESS OF THEORETICAL PHYSICS, 1984, 72 (06): : 1245 - 1247
[5] MONTE-CARLO SIMULATION OF QUANTUM SPIN SYSTEMS
CHAKRAVARTY, S
STEIN, DB
PHYSICAL REVIEW LETTERS, 1982, 49 (08) : 582 - 585
[6] Monte Carlo simulation of critical dynamic spin systems
Schulke, L
Zheng, B
NUCLEAR PHYSICS B, 1997, : 712 - 714
[7] QUANTUM MONTE-CARLO SIMULATION METHOD FOR SPIN SYSTEMS
SANDVIK, AW
KURKIJARVI, J
PHYSICAL REVIEW B, 1991, 43 (07): : 5950 - 5961
[8] AN EFFECTIVE MONTE-CARLO SIMULATION ON CLASSICAL SPIN SYSTEMS
KADENA, Y
MORI, J
PHYSICS LETTERS A, 1994, 190 (3-4) : 323 - 326
[9] Monte Carlo simulation of exchange bias in spin valve systems
Yuksel, Yusuf
Akinci, Umit
PHYSICA B-CONDENSED MATTER, 2018, 549 : 24 - 30
[10] MONTE-CARLO SIMULATION OF QUANTUM SPIN SYSTEMS .1.
SUZUKI, M
MIYASHITA, S
KURODA, A
PROGRESS OF THEORETICAL PHYSICS, 1977, 58 (05): : 1377 - 1387

← 1 2 3 4 5 →