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1

General properties of the Hartree-Fock problem demonstrated on the frontier orbital model

Vlasta Bonačić-Koutecký, Jaroslav Koutecký

Journal:

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

Year:

1975

Language:

english

File:

PDF, 721 KB

english, 1975

2

Second quantization for systems with a constant number of particles in the Dirac notation

Jaroslav Koutecký, Alexandre Laforgue

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 847 KB

english, 1977

3

Quantum chemistry of small clusters of elements of groups Ia, Ib, and IIa: fundamental concepts, predictions, and interpretation of experiments

Bonacic-Koutecky, Vlasta., Fantucci, Piercarlo., Koutecky, Jaroslav.

Journal:

Chemical Reviews

Year:

1991

Language:

english

File:

PDF, 9.75 MB

english, 1991

4

On Convergence Difficulties in the Iterative Hartree—Fock Procedure

Koutecký, Jaroslav

Journal:

The Journal of Chemical Physics

Year:

1971

Language:

english

File:

PDF, 625 KB

english, 1971

5

Is fetal cellular rhabdomyoma an entity or a differentiated rhabdomyosarcoma.? A study of patients with rhabdomyoma of the tongue and sarcoma of the tongue enrolled in the intergroup rhabdomyosarcoma studies, I, II, and III

Roman Kodet, Jaroslav Fajstavr, Zdenek Kabelka, Josef Koutecky, Tomas Eckschlager, William A. Newton Jr.

Journal:

Year:

1991

Language:

english

File:

PDF, 910 KB

english, 1991

6

Plötzliche Polarisation im zwitterionischen angeregten Zustand Z1 organischer Zwischenstufen — Photochemische Auswirkungen

Dr. Vlasta Bonačić-Koutecký, Dr. Peter Bruckmann, Dr. Philippe Hiberty, Prof. Dr. Jaroslav Koutecký, Claude Leforestier, Prof. Dr. Lionel Salem

Journal:

Angewandte Chemie

Year:

1975

Language:

german

File:

PDF, 349 KB

german, 1975

7

Neutrale und geladene Diradikale, Zwitterionen, Trichter auf der S1-Hyperfläche und Protonentranslokation; ihre Bedeutung für den Sehvorgang und andere photochemische und photophysikalische Prozesse

Prof. Dr. Vlasta Bonačić-Koutecký, Prof. Dr. Jaroslav Koutecký, Prof. Dr. Josef Michl

Journal:

Angewandte Chemie

Year:

1987

Language:

german

File:

PDF, 2.19 MB

german, 1987

8

Sudden Polarization in the Zwitterionic Z1 Excited States of Organic Intermediates. Photochemical Implications

Dr. Vlasta Bonačić-Koutecký, Dr. Peter Bruckmann, Dr. Philippe Hiberty, Prof. Jaroslav Koutecký, Mr. Claude Leforestier, Prof. Lionel Salem

Journal:

Angewandte Chemie International Edition

Year:

1975

Language:

english

File:

PDF, 202 KB

english, 1975

9

Neutral and Charged Biradicals, Zwitterions, Funnels in S1, and Proton Translocation: Their Role in Photochemistry, Photophysics, and Vision

Prof. Vlasta Bonačić-Koutecký, Prof. Jaroslav Koutecký, Prof. Josef Michl

Journal:

Angewandte Chemie International Edition

Year:

1987

Language:

english

File:

PDF, 3.79 MB

english, 1987

10

Direct minimization of the Hartree—Fock expectation value of the hamiltonian

Jaroslav Koutecky´, Vlasta Bonacˇic´-Koutecky´

Journal:

Chemical Physics Letters

Year:

1972

Language:

english

File:

PDF, 253 KB

english, 1972

11

Ab initio SCF and CEPA investigations of stable lithium clusters

Hans-Ottmar Beckmann, Jaroslav Koutecký, Peter Botschwina, Wilfried Meyer

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 637 KB

english, 1979

12

Investigation of alkali-metal clusters with pseudopotential multireference double-excitation configuration interaction method

Gianfranco Pacchioni, Hans-Ottmar Beckmann, Jaroslav Koutecký

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 580 KB

english, 1982

13

Pseudopotential SCF and Cl investigation of the electronic structure of PdH, PdC and PdCO

Gianfranco Pacchioni, Jaroslav Koutecký, Piercarlo Fantucci

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 557 KB

english, 1982

14

Potential energy surfaces of low-lying states of the aluminum trimer

Gianfranco Pacchioni, Piercarlo Fantucci, Jaroslav Koutecký

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 516 KB

english, 1987

15

An ab initio configuration interaction investigation of the excited states of the Li4 cluster

Vlasta Bonačič-Koutecký, Piercarlo Fantucci, Jaroslav Koutecký

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 543 KB

english, 1988

16

AB initio hartree-fock investigation of beryllium slabs

Giuliana Angonoa, Jaroslav Koutecky, Cesare Pisani

Journal:

Surface Science Letters

Year:

1982

Language:

english

File:

PDF, 97 KB

english, 1982

17

Mixed-basis approach to the chemisorption problem; Example of H chemisorption on Lin clusters which model the Li (100) surface

Gianfranco Pacchioni, Jaroslav Koutecký, Hans-Ottmar Beckmann

Journal:

Surface Science Letters

Year:

1984

Language:

english

File:

PDF, 48 KB

english, 1984

18

Ab initio Hartree-Fock investigation of the interaction between hydrogen monolayers and beryllium slabs

Giuliana Angonoa, Jaroslav Koutecký, Alexander N. Ermoshkin, Cesare Pisani

Journal:

Surface Science Letters

Year:

1984

Language:

english

File:

PDF, 93 KB

english, 1984

19

Theoretical investigation of the interaction between the hydrogen atom and Pd clusters

Gianfranco Pacchioni, Jaroslav Koutecký

Journal:

Surface Science Letters

Year:

1985

Language:

english

File:

PDF, 56 KB

english, 1985

20

Low-lying electronic states of Ben clusters (n = 7, 10, 13) and of the Be7H system

Gianfranco Pacchioni, Wolfgang Pewestorf, Jaroslav Koutecký

Journal:

Chemical Physics

Year:

1984

Language:

english

File:

PDF, 1.27 MB

english, 1984

21

Ab initio calculations on three isomers of LiC2H2

Wolfgang Pewestorf, Jaroslav Koutecký

Journal:

Journal of Molecular Catalysis

Year:

1989

Language:

english

File:

PDF, 500 KB

english, 1989

22

Die Theorie der Oberflächenzustände und die Quantenchemie der Kristalloberfläche

Jaroslav Koutecký

Journal:

physica status solidi (b)

Year:

1961

Language:

german

File:

PDF, 2.08 MB

german, 1961

23

Electronic states of general mixed crystals

Jaroslav Koutecký, Sydney G. Davison

Journal:

International Journal of Quantum Chemistry

Year:

1968

Language:

english

File:

PDF, 679 KB

english, 1968

24

Convergence difficulties in the hartree-fock procedure for the PPP model of alternant hydrocarbons

Vlasta Bonačiá, Jaroslav Koutecký

Journal:

International Journal of Quantum Chemistry

Year:

1971

Language:

english

File:

PDF, 238 KB

english, 1971

25

Direct minimization of the hartree-fock energy for alternant open shell molecules in the PPP model

Jaroslav KouteckÝ, Vlasta BonaC̆iÓ-KouteckÝ

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 328 KB

english, 1972

26

Nature of the “sudden polarization” effect and its role in photochemistry

Jaroslav Koutecky, Vlasta Bonačič-Koutecký, Jiří Čížek, Detlef Döhnert

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 643 KB

english, 1978

27

Partitioning of the Hamiltonian operator in the lie algebra formalism. Applications to the generalized brillouin theorem and the open-shell Hartree-Fock approximation

Jaroslav Koutecký, Carsten Scheuch

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 496 KB

english, 1990

28

Aproximate pairing properties of SCF solutions in highly symmetric heteroatomic systems

Jaroslav Koutecký

Journal:

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

Year:

1967

Language:

english

File:

PDF, 242 KB

english, 1967

29

A note on the parameters for heteroatoms in Pariser-Parr-Pople (PPP) calculations

Josef Michl, Jaroslav Koutecký, Ralph S. Becker, Charles E. Earhart

Journal:

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

Year:

1970

Language:

english

File:

PDF, 340 KB

english, 1970

30

General properties of the hartree-fock problem demonstrated on the frontier orbital model

Vlasta Bonačić-Koutecký, Jaroslav Koutecký

Journal:

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

Year:

1975

Language:

english

File:

PDF, 924 KB

english, 1975

31

Possible reinterpretation of the Pariser-Parr-Pople theory

Jaroslav Koutecký

Journal:

Chemical Physics Letters

Year:

1967

Language:

english

File:

PDF, 143 KB

english, 1967

32

σ−π Contributions in metal-co bond: A theoretical study of RhCO and PdCO

Jaroslav Koutecký, Gianfranco Pacchioni, Piercarlo Fantucci

Journal:

Chemical Physics

Year:

1985

Language:

english

File:

PDF, 929 KB

english, 1985

33

Methods of Calculation of Polarographic Currents for Depolarization Schemes involving Reactions of Higher Order

KOUTECKÝ, JAROSLAV

Journal:

Year:

1954

File:

PDF, 200 KB

1954

34

П

Jaroslav Koutecký

Journal:

Czechoslovak Journal of Physics

Year:

1958

File:

PDF, 73 KB

1958

35

Application of the self-consistent field method to the theory of surface states of electrons in a crystal

Jaroslav Koutecký

Journal:

Czechoslovak Journal of Physics

Year:

1958

Language:

english

File:

PDF, 350 KB

english, 1958

36

Поправка на сферичес кую диффуз К уравнени ю илъковича

Jaroslav Koutecký

Journal:

Czechoslovak Journal of Physics

Year:

1953

Language:

english

File:

PDF, 158 KB

english, 1953

37

Correction for spherical diffusion to the Il'kovič equation

Jaroslav Koutecký

Journal:

Czechoslovak Journal of Physics

Year:

1953

Language:

english

File:

PDF, 421 KB

english, 1953

38

A note on the approximation solution of the equation

Jaroslav Koutecký

Journal:

Czechoslovak Journal of Physics

Year:

1956

Language:

english

File:

PDF, 176 KB

english, 1956

39

Relative stabilities of hydridocarbonyl and formyl complexes of Rh and Pd: A theoretical study

Gianfranco Pacchioni, Piercarlo Fantucci, Jaroslav Koutecký, Vladimír Ponec

Journal:

Journal of Catalysis

Year:

1988

Language:

english

File:

PDF, 854 KB

english, 1988

40

Ab initio hartree-fock investigation of beryllium slabs

Giuliana Angonoa, Jaroslav Koutecký, Cesare Pisani

Journal:

Surface Science

Year:

1982

Language:

english

File:

PDF, 1.03 MB

english, 1982

41

Mixed-basis approach to the chemisorption problem; Example of H chemisorption on Lin clusters which model the Li (100) surface

Gianfranco Pacchioni, Jaroslav Koutecký, Hans-Ottmar Beckmann

Journal:

Surface Science

Year:

1984

Language:

english

File:

PDF, 910 KB

english, 1984

42

Ab initio hartree-fock investigation of the interaction between hydrogen monolayers and beryllium slabs

Giuliana Angonoa, Jaroslav Koutecký, Alexander N. Ermoshkin, Cesare Pisani

Journal:

Surface Science

Year:

1984

Language:

english

File:

PDF, 1.65 MB

english, 1984

43

Theoretical investigation of the interaction between the hydrogen atom and Pd clusters

Gianfranco Pacchioni, Jaroslav Koutecký

Journal:

Surface Science

Year:

1985

Language:

english

File:

PDF, 864 KB

english, 1985

44

Silicon and germanium clusters. A theoretical study of their electronic structures and properties

Pacchioni, Gianfranco, Koutecký, Jaroslav

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 986 KB

english, 1986

45

Theoretical aspects of metal atom clusters

Koutecky, Jaroslav, Fantucci, Piercarlo

Journal:

Chemical Reviews

Year:

1986

Language:

english

File:

PDF, 7.57 MB

english, 1986

46

Contribution to the Theory of Alternant Systems

Koutecký, Jaroslav

Journal:

The Journal of Chemical Physics

Year:

1966

Language:

english

File:

PDF, 579 KB

english, 1966

47

Natural, Brueckner, and SCF Orbitals for Alternant Systems

Koutecký, Jaroslav

Journal:

The Journal of Chemical Physics

Year:

1966

Language:

english

File:

PDF, 803 KB

english, 1966

48

Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters

Bonačić-Koutecký, Vlasta, Burda, Jaroslav, Mitrić, Roland, Ge, Maofa, Zampella, Giuseppe, Fantucci, Piercarlo

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 1.18 MB

english, 2002

49

Contribution to the Theory of the Surface Electronic States in the One-Electron Approximation

Koutecký, Jaroslav

Journal:

Physical Review (Series I)

Year:

1957

Language:

english

File:

PDF, 368 KB

english, 1957

50

Ab initio CI study of chemical reactions of singlet and triplet imidogen (NH) radicals

Fueno, Takayuki, Bonacic-Koutecky, Vlasta, Koutecky, Jaroslav

Journal:

Journal of the American Chemical Society

Year:

1983

Language:

english

File:

PDF, 1.31 MB

english, 1983

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