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1

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

2

Programs for the coupling of spherical harmonics

E.Joachim Weniger, E.Otto Steinborn

Journal:

Computer Physics Communications

Year:

1982

Language:

english

File:

PDF, 591 KB

english, 1982

3

Numerical integration of functions with a sharp peak at or near one boundary using möbius transformations

Herbert H.H. Homeier, E.Otto Steinborn

Journal:

Journal of Computational Physics

Year:

1990

Language:

english

File:

PDF, 724 KB

english, 1990

4

Coupled-cluster studies. I. Application to small molecules, basis set dependences

W. Fōrner, J. Čížek, P. Otto, J. Ladik, E.O. Steinborn

Journal:

Chemical Physics

Year:

1985

Language:

english

File:

PDF, 1.62 MB

english, 1985

5

Improved quadrature methods for three-center nuclear attraction integrals with exponential-type basis functions

Herbert H. H. Homeier, E. Otto Steinborn

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 1.19 MB

english, 1991

6

Improved quadrature methods for the Fourier transform of a two-center product of exponential-type basis functions

Herbert H. H. Homeier, E. Otto Steinborn

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 609 KB

english, 1992

7

Symmetrie und analytische Struktur der Additionstheoreme räumlicher Funktionen und der Mehrzentren-Molekülintegrale über beliebige Atomfunktionen

E. Otto Steinborn, Eckhard Filter

Journal:

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

Year:

1979

File:

PDF, 1.03 MB

1979

8

Analytische Lösung des Molekülintegrals vom Drei-Zentren-Ein-Elektron-Typ über Slater-Atomorbitale und eine reguläre räumliche Kugelfunktion

E. Otto Steinborn

Journal:

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

Year:

1974

File:

PDF, 638 KB

1974

9

Analytische Lösung des Molekülintegrals vom Drei-Zentren-Ein-Elektron-Typ über Slater-Atomorbitale und eine reguläre räumliche Kugelfunktion

E. Otto Steinborn

Journal:

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

Year:

1974

File:

PDF, 638 KB

1974

10

The fourier transform of a two-center product of exponential-type functions and its efficient evaluation

Johannes Grotendorst, E Otto Steinborn

Journal:

Journal of Computational Physics

Year:

1985

Language:

english

File:

PDF, 1.34 MB

english, 1985

11

A matrix representation of the translation operator with respect to a basis set of exponentially declining functions

Filter, Eckhard, Steinborn, E. Otto

Journal:

Journal of Mathematical Physics

Year:

1980

Language:

english

File:

PDF, 1.15 MB

english, 1980

12

Fourier transform of a two-center product of exponential-type orbitals. Application to one- and two-electron multicenter integrals

Trivedi, Harit P., Steinborn, E. Otto

Journal:

Physical Review A

Year:

1983

Language:

english

File:

PDF, 820 KB

english, 1983

13

Efficient evaluation of infinite-series representations for overlap, two-center nuclear attraction, and Coulomb integrals using nonlinear convergence accelerators

Grotendorst, Johannes, Weniger, E. Joachim, Steinborn, E. Otto

Journal:

Physical Review A

Year:

1986

Language:

english

File:

PDF, 1.65 MB

english, 1986

14

Comment on "Hydrogenlike orbitals of bound states referred to another coordinate"

Weniger, E. Joachim, Steinborn, E. Otto

Journal:

Physical Review A

Year:

1984

Language:

english

File:

PDF, 186 KB

english, 1984

15

Addition theorems for B functions and other exponentially declining functions

Weniger, E. Joachim, Steinborn, E. Otto

Journal:

Journal of Mathematical Physics

Year:

1989

Language:

english

File:

PDF, 958 KB

english, 1989

16

Unified analytical treatment of overlap, two-center nuclear attraction, and Coulomb integrals of B functions via the Fourier-transform method

Weniger, E. Joachim, Grotendorst, Johannes, Steinborn, E. Otto

Journal:

Physical Review A

Year:

1986

Language:

english

File:

PDF, 1.24 MB

english, 1986

17

Comment on ‘‘Molecular overlap integrals with exponential‐type orbitals’’

Weniger, E. Joachim, Steinborn, E. Otto

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 322 KB

english, 1987

18

A new iterative method for solving the time-independent Schrödinger equation based on the generalized Bloch equation. I. Boson systems: The quartic anharmonic oscillator

Holger Meiβner, E. Otto Steinborn

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 251 KB

english, 1997

19

Iterative determination of eigenvalues of the time-independent Schrödinger equation by the use of the generalized Bloch equation

Holger Meißner, E. Otto Steinborn

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 196 KB

english, 1997

20

EXPONENTIAL-TYPE BASIS FUNCTIONS: SINGLE- AND DOUBLE-ZETA B FUNCTION BASIS SETS FOR THE GROUND STATES OF NEUTRAL ATOMS FROM Z = 2 TO Z = 36

Ignacio Ema, José M.Garcı́a De La Vega, Beatriz Miguel, Johannes Dotterweich, Holger Meißner, E.Otto Steinborn

Journal:

Atomic Data and Nuclear Data Tables

Year:

1999

Language:

english

File:

PDF, 149 KB

english, 1999

21

Poly-polar expansions for regular and irregular spherical harmonics in molecules

Journal:

Chemical Physics Letters

Year:

1969

Language:

english

File:

PDF, 416 KB

english, 1969

22

Binding energy analysis of solid hydrogen fluoride

P. Otto, E.O. Steinborn

Journal:

Solid State Communications

Year:

1986

Language:

english

File:

PDF, 287 KB

english, 1986

23

Valence-shell correlation calculation of the co molecule in one-center expansion

Y.G. Smeyers, P. Otto, J. Ladik, J. Čížek, E.G. Steinborn

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 275 KB

english, 1986

24

Programs for the coupling of spherical harmonics

E. Joachim Weniger, E. Otto Steinborn

Journal:

Computer Physics Communications

Year:

1984

Language:

english

File:

PDF, 53 KB

english, 1984

25

Comment on: A Gaussian quadrature for the optimal evaluation of integrals involving Lorentzians over a semi-infinite interval

Herbert H.H. Homeier, E.Otto Steinborn

Journal:

Computer Physics Communications

Year:

1996

Language:

english

File:

PDF, 221 KB

english, 1996

26

Evaluation of multicenter integrals over Slater-type atomic orbitals by expansion in terms of complete sets

E. Otto Steinborn, Eckhard Filter

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 346 KB

english, 1980

27

Möbius-Type quadrature of electron repulsion integrals with B functions

E. Otto Steinborn, Herbert H. H. Homeier

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 817 KB

english, 1990

28

On the evaluation of overlap integrals with exponential-type basis functions

Herbert H. H. Homeier, E. Otto Steinborn

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 1010 KB

english, 1992

29

Overlap integrals ofBfunctions

E. Joachim Weniger, E. Otto Steinborn

Journal:

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

Year:

1988

Language:

english

File:

PDF, 681 KB

english, 1988

30

Translations of fields represented by spherical-harmonic expansions for molecular calculations

E. Otto Steinborn, Eckhard Filter

Journal:

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

Year:

1975

Language:

english

File:

PDF, 582 KB

english, 1975

31

Translations of fields represented by spherical-harmonic expansions for molecular calculations

E. Otto Steinborn, Eckhard Filter

Journal:

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

Year:

1975

Language:

english

File:

PDF, 790 KB

english, 1975

32

Translations of fields represented by spherical-harmonic expansions for molecular calculations

E. Otto Steinborn, Eckhard Filter

Journal:

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

Year:

1975

Language:

english

File:

PDF, 493 KB

english, 1975

33

Zur Deutung der Ultraviolett-Absorptionsspektren der Alkalihalogenid-Kristalle

E. Otto Steinborn, Günter Gliemann

Journal:

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

Year:

1966

Language:

german

File:

PDF, 1.25 MB

german, 1966

34

Nuclear attraction and electron interaction integrals of exponentially decaying functions and the Poisson equation

E. Otto Steinborn, E. Joachim Weniger

Journal:

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

Year:

1992

Language:

english

File:

PDF, 890 KB

english, 1992

35

Quantum field theoretical methods in chemically bonded systems II

Thomas E. Sorensen, Walter B. England, David M. Silver, E. Otto Steinborn

Journal:

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

Year:

1992

Language:

english

File:

PDF, 921 KB

english, 1992

36

Sequence transformations for the efficient evaluation of infinite series representations of some molecular integrals with exponentially decaying basis functions

E.Otto Steinborn, E.Joachim Weniger

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 476 KB

english, 1990

37

Some properties of the coupling coefficients of real spherical harmonics and their relation to Gaunt coefficients

Herbert H.H. Homeier, E.Otto Steinborn

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 505 KB

english, 1996

38

Quartic, sextic, and octic anharmonic oscillators: Precise energies of ground state and excited states by an iterative method based on the generalized Bloch equation

Meiβner, Holger, Steinborn, E. Otto

Journal:

Physical Review A

Year:

1997

Language:

english

File:

PDF, 228 KB

english, 1997

39

A simple derivation of the addition theorems of the irregular solid harmonics, the Helmholtz harmonics, and the modified Helmholtz harmonics

Weniger, E. Joachim, Steinborn, E. Otto

Journal:

Journal of Mathematical Physics

Year:

1985

Language:

english

File:

PDF, 769 KB

english, 1985

40

functions

Weniger, E. Joachim, Steinborn, E. Otto

Journal:

Physical Review A

Year:

1983

Language:

english

File:

PDF, 780 KB

english, 1983

41

Implications and improvements of single-center expansions in molecules

Kranz, Herbert H., Steinborn, E. Otto

Journal:

Physical Review A

Year:

1982

Language:

english

File:

PDF, 315 KB

english, 1982

42

Numerical properties of a new translation formula for exponential-type functions and its application to one-electron multicenter integrals

Trivedi, Harit P., Steinborn, E. Otto

Journal:

Physical Review A

Year:

1982

Language:

english

File:

PDF, 437 KB

english, 1982

43

A field-theoretic model Hamiltonian for the proper dissociation of multiple bonds

England, Walter B., Silver, David M., Steinborn, E. Otto

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 412 KB

english, 1984

44

Use of nonlinear convergence accelerators for the efficient evaluation of GTO molecular integrals

Grotendorst, Johannes, Steinborn, E. Otto

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 693 KB

english, 1986