NUCLEAR-SPIN SPIN COUPLING-CONSTANTS IN A COUPLED-CLUSTER POLARIZATION PROPAGATOR APPROACH

被引：17

作者：

GEERTSEN, J

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1987年 / 134卷 / 05期

关键词：

D O I：

10.1016/0009-2614(87)87161-0

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

页码：400 / 402

页数：3

共 9 条

[1] CALCULATION OF THE INDIRECT NUCLEAR SPIN-SPIN COUPLING-CONSTANT IN HD USING A GLOBAL OPERATOR REPRESENTATION OF THE FERMI CONTACT OPERATOR [J].

GEERTSEN, J .

CHEMICAL PHYSICS LETTERS, 1985, 116 (01) :89-92

[2] 2ND-ORDER POLARIZATION PROPAGATOR CALCULATIONS OF INDIRECT NUCLEAR-SPIN SPIN COUPLING TENSORS IN THE WATER MOLECULE [J].

GEERTSEN, J ;

ODDERSHEDE, J .

CHEMICAL PHYSICS, 1984, 90 (03) :301-311

[3]

GEERTSEN J, 1986, J CHEM PHYS, V85, P2112, DOI 10.1063/1.451156

[4] HIGHER RPA AND 2ND-ORDER POLARIZATION PROPAGATOR CALCULATIONS OF COUPLING-CONSTANTS IN ACETYLENE [J].

GEERTSEN, J ;

ODDERSHEDE, J .

CHEMICAL PHYSICS, 1986, 104 (01) :67-72

[5]

Linderberg J, 1973, PROPAGATORS QUANTUM

[6] HIGH-RESOLUTION NUCLEAR-MAGNETIC-RESONANCE SPECTRA OF HYDROCARBON GROUPINGS .6. HYDROGEN SPECTRA OF CARBON-13 SUBSTITUTED ETHANE, ETHYLENE AND ACETYLENE [J].

LYNDENBELL, RM ;

SHEPPARD, N .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1962, 269 (1338) :385-&

[7] POLARIZATION PROPAGATOR METHODS IN ATOMIC AND MOLECULAR CALCULATIONS [J].

ODDERSHEDE, J ;

JORGENSEN, P ;

YEAGER, DL .

COMPUTER PHYSICS REPORTS, 1984, 2 (02) :33-92

[8]

Oddershede J, 1978, ADV QUANTUM CHEM, V11, P275

[9] Determination of Excitation Energies and Transition Moments in a Second Order Polarization Propagator Approach. Application to the Be Atom and the CH+ Molecule. [J].

Oddershede, Jens ;

Jorgensen, Poul ;

Beebe, Nelson H. F. .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (04) :655-670

← 1 →