Interdimensional degeneracies in van der Waals clusters and quantum Monte Carlo computation of rovibrational states

被引:13
|
作者
Nightingale, MP [1 ]
Moodley, M
机构
[1] Univ Rhode Isl, Dept Phys, Kingston, RI 02881 USA
[2] Univ KwaZulu Natal, Sch Phys, Howard Coll, ZA-4041 Durban, South Africa
来源
JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 01期
基金
美国国家科学基金会;
关键词
D O I
10.1063/1.1941107
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Quantum Monte Carlo estimates of the spectrum of rotationally invariant states of noble gas clusters suggest interdimensional degeneracy in N-1 and N+1 spatial dimensions. We derive this property by mapping the Schrodinger eigenvalue problem onto an eigenvalue equation in which D appears as a continuous variable. We discuss implications for quantum Monte Carlo and dimensional scaling methods. (c) 2005 American Institute of Physics.
引用
收藏
页数:7
相关论文
共 50 条
  • [11] Computation of rovibrational eigenvalues of van der Waals molecules on a CRAY T3D
    Wu, XDT
    Korambath, PP
    Hayes, EF
    Sorensen, DC
    JOURNAL OF COMPUTATIONAL PHYSICS, 1997, 138 (02) : 286 - 301
  • [12] Quantum-Monte Carlo study of rovibrational states of molecular systems
    Prudente, FV
    Acioli, PH
    CHEMICAL PHYSICS LETTERS, 1999, 302 (3-4) : 249 - 254
  • [13] Thermodynamic properties of van der Waals fluids from Monte Carlo simulations and perturbative Monte Carlo theory
    Diez, A.
    Largo, J.
    Solana, J. R.
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (07):
  • [14] Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions
    Benali, Anouar
    Shulenburger, Luke
    Romero, Nichols A.
    Kim, Jeongnim
    von Lilienfeld, O. Anatole
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (08) : 3417 - 3422
  • [15] Correlation function quantum Monte Carlo studies of rovibrational excited states in molecules
    Prudente, FV
    Costa, LS
    Acioli, PH
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2000, 33 (22) : R285 - R313
  • [16] Monte Carlo simulation approach to internal partition functions for van der Waals molecules
    Riganelli, A
    Wang, W
    Varandas, AJC
    JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (41): : 8303 - 8308
  • [17] Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods
    Ganesh, P.
    Kim, Jeongnim
    Park, Changwon
    Yoon, Mina
    Reboredo, Fernando A.
    Kent, Paul R. C.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (12) : 5318 - 5323
  • [18] Weak binding between two aromatic rings: Feeling the van der Waals attraction by quantum Monte Carlo methods
    Sorella, Sandro
    Casula, Michele
    Rocca, Dario
    JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (01):
  • [19] Van der Waals interactions in aromatic clusters: Investigation with quantum chemical methods
    Gonzalez, CA
    Allison, TC
    Gonzalez, I
    Lim, EC
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U2858 - U2858
  • [20] Diagnostics of mixed van der Waals clusters
    E. Fort
    F. Pradère
    A. De Martino
    H. Vach
    M. Châtelet
    The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics, 1998, 1 : 79 - 84