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1

The Physical Nature of the Chemical Bond

Ruedenberg, Klaus

Journal:

Review of Modern Physics

Year:

1962

Language:

english

File:

PDF, 4.57 MB

english, 1962

2

Overlap Integrals between Atomic Orbitals

Ruedenberg, Klaus

Journal:

Journal of Mathematical Physics

Year:

1966

Language:

english

File:

PDF, 776 KB

english, 1966

3

Parametrization of an orthogonal matrix in terms of generalized eulerian angles

Richard C. Raffenetti, Klaus Ruedenberg

Journal:

International Journal of Quantum Chemistry

Year:

1969

Language:

english

File:

PDF, 432 KB

english, 1969

4

Molecular one-electron integrals over slater-type atomic orbitals and irregular solid spherical harmonics

E. Otto Steinborn, Klaus Ruedenberg

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 884 KB

english, 1972

5

Rotation Matrices for Real Spherical Harmonics. Direct Determination by Recursion

Ivanic, Joseph, Ruedenberg, Klaus

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 390 KB

english, 1996

6

Localized Atomic and Molecular Orbitals

Edmiston, Clyde, Ruedenberg, Klaus

Journal:

Review of Modern Physics

Year:

1963

Language:

english

File:

PDF, 810 KB

english, 1963

7

Elektronendichte, Deformationsdichte und chemische Bindung

Prof. Dr. W. H. Eugen Schwarz, Prof. Dr. Klaus Ruedenberg, Lothar Mensching, Dr. Lance L. Miller, Prof. Dr. R. Jacobson, Dr. Petros Valtazanos, Prof. Dr. Wolfgang Von Niessen

Journal:

Angewandte Chemie

Year:

1989

Language:

german

File:

PDF, 360 KB

german, 1989

8

Why does electron sharing lead to covalent bonding? A variational analysis

Klaus Ruedenberg, Michael W. Schmidt

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 1.01 MB

english, 2007

9

Numerical analysis and evaluation of normalized repeated integrals of the error function and related functions

Richard D Bardo, Klaus Ruedenberg

Journal:

Journal of Computational Physics

Year:

1971

Language:

english

File:

PDF, 380 KB

english, 1971

10

Electron difference densities and chemical bonding

W. H. Eugen Schwarz, Petros Valtazanos, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1985

Language:

english

File:

PDF, 2.12 MB

english, 1985

11

Accurate ab initio potential energy curve of O[sub 2]. II. Core-valence correlations, relativistic contributions, and vibration-rotation spectrum

Bytautas, Laimutis, Matsunaga, Nikita, Ruedenberg, Klaus

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 656 KB

english, 2010

12

Localized Atomic and Molecular Orbitals. II

Edmiston, Clyde, Ruedenberg, Klaus

Journal:

The Journal of Chemical Physics

Year:

1965

Language:

english

File:

PDF, 1.52 MB

english, 1965

13

Study of Two-Center Integrals Useful in Calculations on Molecular Structure. III. A Unified Treatment of the Hybrid, Coulomb, and One-Electron Integrals

Ruedenberg, Klaus, Roothaan, C. C. J., Jaunzemis, Walter

Journal:

The Journal of Chemical Physics

Year:

1956

Language:

english

File:

PDF, 1.41 MB

english, 1956

14

Accurate ab initio potential energy curves and spectroscopic properties of the four lowest singlet states of C2

Boschen, Jeffery S., Theis, Daniel, Ruedenberg, Klaus, Windus, Theresa L.

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2014

Language:

english

File:

PDF, 387 KB

english, 2014

15

Electron pairs, localized orbitals and electron correlation

BYTAUTAS, LAIMUTIS, RUEDENBERG, KLAUS

Journal:

Molecular Physics

Year:

2002

Language:

english

File:

PDF, 2.10 MB

english, 2002

16

Quantum Mechanics of Mobile Electrons in Conjugated Bond Systems. V. Empirical Determination of Integrals between Carbon Atomic Orbitals from Experimental Data on Benzene

Ruedenberg, Klaus, Layton, E. Miller

Journal:

The Journal of Chemical Physics

Year:

1961

Language:

english

File:

PDF, 914 KB

english, 1961

17

Correlation Energy Extrapolation by Many-Body Expansion

Boschen, Jeffery S., Theis, Daniel, Ruedenberg, Klaus, Windus, Theresa L.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 532 KB

english, 2017

18

The Virial Theorem and Covalent Bonding

Bacskay, George Bajan, Nordholm, Sture, Ruedenberg, Klaus

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 1004 KB

english, 2018

19

Oriented Nonspherical Atoms in Crystals Deduced from X-Ray Scattering Data

Lance L. Miller, Robert A. Jacobson, Klaus Ruedenberg, Jier Niu, W. H. Eugen Schwarz

Journal:

Helvetica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 333 KB

english, 2001

20

Electron Densities, Deformation Densities, and Chemical Bonding

Prof. Dr. W. H. Eugen Schwarz, Prof. Dr. Klaus Ruedenberg, Dipl.-Chem. Lothar Mensching, Dr. Lance L. Miller, Dr. Petros Valtazanos, Prof. Dr. Wolfgang von Niessen

Journal:

Angewandte Chemie International Edition

Year:

1989

Language:

english

File:

PDF, 481 KB

english, 1989

21

A MCSCF method for ground and excited states based on full optimizations of successive Jacobi rotations

Joseph Ivanic, Klaus Ruedenberg

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 147 KB

english, 2003

22

New parallel optimal-parameter fast multipole method (OPFMM)

Cheol Ho Choi, Klaus Ruedenberg, Mark S. Gordon

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 288 KB

english, 2001

23

Why does electron sharing lead to covalent bonding? A variational analysis

Klaus Ruedenberg, Michael W. Schmidt

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 29 KB

english, 2007

24

Pictorial representation of three-dimensional electron distributions through a perspective view of contour diagrams in a set of parallel planes

Mary M. Gilbert, Jack J. Donn, Martha Peirce, Kenneth R. Sundberg, Klaus Ruedenberg

Journal:

Journal of Computational Chemistry

Year:

1985

Language:

english

File:

PDF, 505 KB

english, 1985

25

The potential energy surface of the ground state of carbon dioxide

Sotiris S. Xantheas, S.T. Elbert, Klaus Ruedenberg

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 348 KB

english, 1990

26

Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model

Klaus Ruedenberg, Michael W. Schmidt, Mary M. Gilbert, S.T. Elbert

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 857 KB

english, 1982

27

Are atoms intrinsic to molecular electronic wavefunctions? III. Analysis of FORS configurations

Klaus Ruedenberg, Michael W. Schmidt, Mary M. Gilbert, S.T. Elbert

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 1.24 MB

english, 1982

28

Are atoms sic to molecular electronic wavefunctions? II. Analysis of fors orbitals

Klaus Ruedenberg, Michael W. Schmidt, Mary M. Gilbert

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 1.24 MB

english, 1982

29

A priori identification of configurational deadwood

Laimutis Bytautas, Klaus Ruedenberg

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 550 KB

english, 2009

30

Compact natural orbital expansions for the helium ground state

Norman Cressy, K. R. Miller, Klaus Ruedenberg

Journal:

International Journal of Quantum Chemistry

Year:

1969

Language:

english

File:

PDF, 272 KB

english, 1969

31

Expansion of r12 and r in terms of analytical functions

Norman Cressy, Klaus Ruedenberg

Journal:

International Journal of Quantum Chemistry

Year:

1969

Language:

english

File:

PDF, 337 KB

english, 1969

32

A quadrupolar expansion for r

Lydia S. Salmon, Klaus Ruedenberg

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 229 KB

english, 1972

33

An expansion for four-center integrals over Slater-type orbitals

Lydia S. Salmons, Klaus Ruedenberg

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 450 KB

english, 1972

34

Generation of a full active configuration space basis in terms of symmetry- and spin-adapted antisymmetrized orbital products

Miu-To Brenda Lam, Stephen T. Elbert, Klaus Ruedenberg

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 720 KB

english, 1987

35

Potential energy surfaces of carbon dioxide

Sotiris S. Xantheas, Klaus Ruedenberg

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 886 KB

english, 1994

36

Bipolare Entwicklungen, Fouriertransformation und Molekulare Mehrzentren-Integrale

Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1967

File:

PDF, 361 KB

1967

37

Gradient extremals

David K. Hoffman, Ross S. Nord, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1986

Language:

english

File:

PDF, 664 KB

english, 1986

38

Bifurcations and transition states

Petros Valtazanos, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1986

Language:

english

File:

PDF, 1.54 MB

english, 1986

39

Localizedπ-orbitals, pauling bond orders, and the origin of aromatic stability

Walter England, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1971

Language:

english

File:

PDF, 1.01 MB

english, 1971

40

Systematic approach to extended even-tempered orbital bases for atomic and molecular calculations

David F. Feller, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1979

Language:

english

File:

PDF, 1022 KB

english, 1979

41

Localized charge distributions

Walter England, Mark S. Gordon, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1975

Language:

english

File:

PDF, 1.95 MB

english, 1975

42

Chemical binding and electron correlation in diatomic molecules as described by the FORS model and the FORS-IACC model

Michael W. Schmidt, M. T. Brenda Lam, Stephen T. Elbert, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1985

Language:

english

File:

PDF, 814 KB

english, 1985

43

Book review

Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1988

Language:

english

File:

PDF, 100 KB

english, 1988

44

The ring opening of substituted cyclopropylidenes to substituted allenes: the effects of steric and long-range electrostatic interactions

Petros Valtazanos, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1991

Language:

english

File:

PDF, 7.11 MB

english, 1991

45

Efficient use of Jacobi rotations for orbital optimization and localization

Richard C. Raffenetti, Klaus Ruedenberg, Curtis L. Janssen, Henry F. Schaefer

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1993

Language:

english

File:

PDF, 926 KB

english, 1993

46

Deadwood in configuration spaces. II. Singles + doubles and singles + doubles + triples + quadruples spaces

Joseph Ivanic, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2002

Language:

english

File:

PDF, 143 KB

english, 2002

47

Intrinsic local constituents of molecular electronic wave functions. I. Exact representation of the density matrix in terms of chemically deformed and oriented atomic minimal basis set orbitals

Joseph Ivanic, Gregory J. Atchity, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2008

Language:

english

File:

PDF, 408 KB

english, 2008

48

Intrinsic local constituents of molecular electronic wave functions. II. Electronic structure analyses in terms of intrinsic oriented quasi-atomic molecular orbitals for the molecules FOOH, H2BH2BH2, H2CO and the isomerization HNO → NOH

Joseph Ivanic, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2008

Language:

english

File:

PDF, 494 KB

english, 2008

49

Determination of diabatic states through enforcement of configurational uniformity

Gregory J. Atchity, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1997

Language:

english

File:

PDF, 1.05 MB

english, 1997

50

Identification of deadwood in configuration spaces through general direct configuration interaction

Joseph Ivanic, Klaus Ruedenberg

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2001

Language:

english

File:

PDF, 190 KB

english, 2001

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