CALCULATIONS OF THE SPIN-DIPOLAR TERM AND VIBRATIONAL CORRECTIONS TO THE SPIN-SPIN COUPLING-CONSTANT OF HD - AN ESTIMATE OF THE VALUE OF THE FERMI CONTACT TERM

被引:7
作者
SCHULMAN, JM
LEE, WS
机构
关键词
D O I
10.1063/1.440250
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
引用
收藏
页码:1350 / 1353
页数:4
相关论文
共 16 条
[1]   CALCULATION OF NMR SPIN COUPLING CONSTANT IN HD [J].
ARMOUR, EAG .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (12) :5445-&
[2]  
BENOIT H, 1967, CR ACAD SCI B, V265, P10
[3]   NEW THEORETICAL METHOD FOR ACCURATE CALCULATION OF EXPECTATION VALUES ON FUNCTIONS OF INTERNUCLEAR SEPARATION IN 1SIGMA-STATE DIATOMIC MOLECULES [J].
HERMAN, RM ;
SHORT, S .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (03) :1266-&
[4]   ELECTRON-COUPLED INTERACTION BETWEEN NUCLEAR SPINS IN HD MOLECULE [J].
ISHIGURO, E .
PHYSICAL REVIEW, 1958, 111 (01) :203-208
[5]  
Jameson A. K., 1971, Journal of Physical Chemistry, V75, P437, DOI 10.1021/j100673a027
[6]   VALENCE BOND CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .2. COUPLED VALENCE BOND PERTURBATION-THEORY [J].
KIRTMAN, B ;
KIRTLEY, KB .
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (11) :1470-1472
[7]   CORRELATED ORBITALS FOR THE GROUND STATE OF THE HYDROGEN MOLECULE [J].
KOLOS, W ;
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :205-210
[8]   LARGE CONFIGURATION INTERACTION CALCULATIONS OF NUCLEAR SPIN - SPIN COUPLING-CONSTANTS .1. HD MOLECULE [J].
KOWALEWSKI, J ;
ROOS, B ;
SIEGBAHN, P ;
VESTIN, R .
CHEMICAL PHYSICS, 1974, 3 (01) :70-77
[9]   CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS [J].
KOWALEWSKI, J .
PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 1977, 11 :1-78
[10]   DIAMAGNETIC CONTRIBUTIONS TO THE NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF SEVERAL SMALL MOLECULES - APPLICATION OF MONTE-CARLO INTEGRATION METHODS TO MOLECULAR ONE-ELECTRON PROPERTIES [J].
LEE, WS ;
SCHULMAN, JM .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (03) :1530-1537