An accurate method for numerical calculations in quantum mechanics

被引:19
|
作者
Ishikawa, H [1 ]
机构
[1] Fujitsu Labs Ltd, Tokyo 1970833, Japan
来源
关键词
D O I
10.1088/0305-4470/35/20/306
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
An. accurate method for numerical calculations of matrix elements and for solving the eigenvalue problem in quantum mechanics is presented. Methods for numerical interpolation, differentiation and integration provide 15-digit accuracy with double-precision arithmetic operations. A method for solution of the eigenvalue problem of an ordinary differential equation by using discretization and matrix eigenvalue methods provides 13- to 15-digit accuracy. The efficiency of the proposed methods is demonstrated by the applications to bound states for the linear harmonic oscillator, anharmonic oscillators, the Morse potential and the modified Poschl-Teller potential.
引用
收藏
页码:4453 / 4476
页数:24
相关论文
共 50 条
  • [1] Numerical investigation of quasilinearization method in quantum mechanics
    Krivec, R
    Mandelzweig, VB
    COMPUTER PHYSICS COMMUNICATIONS, 2001, 138 (01) : 69 - 79
  • [2] ON THE SPUR CALCULATIONS IN QUANTUM MECHANICS
    NISHIJIMA, K
    PROGRESS OF THEORETICAL PHYSICS, 1950, 5 (01): : 155 - 157
  • [3] Quantum Mechanics and physical calculations
    Karayan, H. S.
    2ND INTERNATIONAL SYMPOSIUM ON THE MODERN PHYSICS OF COMPACT STARS AND RELATIVISTIC GRAVITY, 2014, 496
  • [4] ACCURATE QUANTUM CHEMICAL CALCULATIONS
    BAUSCHLICHER, CW
    LANGHOFF, SR
    TAYLOR, PR
    ADVANCES IN CHEMICAL PHYSICS, 1990, 77 : 103 - 161
  • [5] GRADIENT METHOD IN QUANTUM-MECHANICS - NUCLEAR-STRUCTURE CALCULATIONS
    BONACCORSO, A
    DITORO, M
    RUSSO, G
    NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA B-GENERAL PHYSICS RELATIVITY ASTRONOMY AND MATHEMATICAL PHYSICS AND METHODS, 1977, 40 (02): : 273 - 288
  • [6] Quantum mechanics calculations on rhodamine dyes require inclusion of solvent water for accurate representation of the structure
    Cavallo, L
    Moore, MH
    Corrie, JET
    Fraternali, F
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (38): : 7744 - 7751
  • [7] Numerical bootstrap in quantum mechanics
    Bhattacharya, Jyotirmoy
    Das, Diptarka
    Das, Sayan Kumar
    Jha, Ankit Kumar
    Kundu, Moulindu
    PHYSICS LETTERS B, 2021, 823
  • [8] MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations
    Cardenas, Gustavo
    Lucia-Tamudo, Jesus
    Mateo-delaFuente, Henar
    Palmisano, Vito F.
    Anguita-Ortiz, Nuria
    Ruano, Lorena
    Perez-Barcia, Alvaro
    Diaz-Tendero, Sergio
    Mandado, Marcos
    Nogueira, Juan J.
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2023, 44 (04) : 516 - 533
  • [9] Quantum mechanics/molecular mechanics calculations of the vanadium dependent chloroperoxidase
    Kravitz, JY
    Pecoraro, VL
    Carlson, HA
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2005, 1 (06) : 1265 - 1274
  • [10] NUMERICAL-CALCULATIONS IN ELEMENTARY QUANTUM-MECHANICS USING FEYNMAN PATH-INTEGRALS
    SCHER, G
    SMITH, M
    BARANGER, M
    ANNALS OF PHYSICS, 1980, 130 (02) : 290 - 306