Werner Kutzelnigg - Publications, H-index & Citations

Werner Kutzelnigg

ruhr university bochum

77H指数

386论文数

2.1W被引数

收录论文 26

发表时间

Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4+

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-08-21

PREAI

Sokolov, Alexander Yu; Schaefer, Henry F., III; Kutzelnigg, Werner

Density cumulant functional theory: First implementation and benchmark results for the DCFT-06 model

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2010-11-04

OAAI

Simmonett, Andrew C.; Wilke, Jeremiah J.; Schaefer, Henry F., III; Kutzelnigg, Werner

Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-07-31

PREAI

Kutzelnigg, Werner; Liu, Wenjian

Quasirelativistic theory. II. Theory at matrix level

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2007-03-19

142

PREAI

Liu, Wenjian; Kutzelnigg, Werner

Explicitly correlated potential energy surface of H3+, including relativistic and adiabatic corrections

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

IF3.7

2006-09-25

PREAI

Kutzelnigg, Werner; Jaquet, Ralph

Response to Comment on 'Quasirelativistic theory equivalent to fully relativistic theory' [J. Chem. Phys. 123, 241102 (2005)]

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2006-09-08

PREAI

Kutzelnigg, Werner; Liu, Wenjian

Quasirelativistic theory equivalent to fully relativistic theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2005-12-27

441

PREAI

Kutzelnigg, W; Liu, WJ

Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. IV. Perturbative analysis

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2004-04-05

PREAI

Kutzelnigg, W; Mukherjee, D

Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems.: III.: Systems of noninteracting electrons

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2004-04-05

PREAI

Kutzelnigg, W; Mukherjee, D

THEORY OF MAGNETIC-SUSCEPTIBILITIES AND NMR CHEMICAL-SHIFTS IN TERMS OF LOCALIZED QUANTITIES .3. APPLICATION TO HYDROCARBONS AND OTHER ORGANIC-MOLECULES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

214

PREAI

SCHINDLER, M; KUTZELNIGG, W

IGLO STUDY OF BENZENE AND SOME OF ITS ISOMERS AND RELATED MOLECULES - SEARCH FOR EVIDENCE OF THE RING CURRENT MODEL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

251

PREAI

FLEISCHER, U; KUTZELNIGG, W; LAZZERETTI, P; MUHLENKAMP, V

P-31 SOLID-STATE NMR-STUDY OF IMINOPHOSPHINES - INFLUENCE OF ELECTRONIC-STRUCTURE AND CONFIGURATION OF THE DOUBLE-BOND ON PHOSPHORUS SHIELDING

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

OAAI

GUDAT, D; HOFFBAUER, W; NIECKE, E; SCHOELLER, WW; FLEISCHER, U; KUTZELNIGG, W

H-1-NMR CHEMICAL-SHIFT AND INTRINSIC ACIDITY OF HYDROXYL-GROUPS - AB-INITIO CALCULATIONS ON CATALYTICALLY ACTIVE-SITES AND GAS-PHASE MOLECULES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

121

PREAI

FLEISCHER, U; KUTZELNIGG, W; BLEIBER, A; SAUER, J

LOW-TEMPERATURE C-13 MAGNETIC-RESONANCE IN SOLIDS .3. LINEAR AND PSEUDOLINEAR MOLECULES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

169

PREAI

BEELER, AJ; ORENDT, AM; GRANT, DM; CUTTS, PW; MICHL, J; ZILM, KW; DOWNING, JW; FACELLI, JC; SCHINDLER, MS; KUTZELNIGG, W

THEORETICAL-STUDY OF THE REACTION PH-5-]PH-3+H-2

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

PREAI

KUTZELNIGG, W; WASILEWSKI, J

Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems.: II.: Spin-free formulation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2002-03-22

PREAI

Kutzelnigg, W; Mukherjee, D

Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems.: I.: The equations satisfied by the density cumulants (vol 114, pg 2047, 2001)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2001-05-08

OAAI

Mukherjee, D; Kutzelnigg, W

Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems.: I.: The equations satisfied by the density cumulants

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2001-02-01

109

PREAI

Mukherjee, D; Kutzelnigg, W

Relativistic MCSCF by means of quasidegenerate direct perturbation theory. I. Theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2000-02-22

PREAI

Kutzelnigg, W; Liu, WJ

Relativistic MCSCF by means of quasidegenerate direct perturbation theory.: II.: Preliminary applications

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2000-02-22

PREAI

Liu, WJ; Kutzelnigg, W; van Wüllen, C

研究方向