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1

Direct approach to density functional theory: iterative treatment using a polynomial representation of the Heaviside step function operator

Youhong Huang, Donald J. Kouri, David K. Hoffman

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 596 KB

english, 1995

2

Matrix pseudo-spectroscopy: iterative calculation of matrix eigenvalues and eigenvectors of large matrices using a polynomial expansion of the Dirac delta function

Gregory A. Parker, Wei Zhu, Youhong Huang, David K. Hoffman, Donald J. Kouri

Journal:

Computer Physics Communications

Year:

1996

Language:

english

File:

PDF, 597 KB

english, 1996

3

Time-dependent treatment of scattering. II. Novel integral equation approach to quantum wave packets

Sharafeddin, Omar A., Judson, Richard S., Kouri, Donald J., Hoffman, David K.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 704 KB

english, 1990

4

Theory of reactive scattering

Cooper, W. Grant, Evers, N.S., Kouri, Donald J.

Journal:

Molecular Physics

Year:

1974

Language:

english

File:

PDF, 656 KB

english, 1974

5

The application of time-dependent wavepacket methods to reactive scattering

Daniel Neuhauser, Michael Baer, Richard S. Judson, Donald J. Kouri

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 1.85 MB

english, 1991

6

On the role of parallel architecture supercomputers in time-dependent approaches to quantum scattering

David K. Hoffman, Omar A. Sharafeddin, Donald J. Kouri, Michael Carter, Naresh Nayar, John Gustafson

Journal:

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

Year:

1991

Language:

english

File:

PDF, 933 KB

english, 1991

7

Variational derivation and extensions of distributed approximating functionals

D. K. Hoffman, T. L. Marchioro, Mark Arnold, Youhong Huang, Wei Zhu, Donald J. Kouri

Journal:

Journal of Mathematical Chemistry

Year:

1996

Language:

english

File:

PDF, 1.64 MB

english, 1996

8

Distributed approximating function approach to time-dependent wavepacket propagation in 3-dimensions: atom-surface scattering

Youhong Huang, Donald J. Kouri, Mark Arnold, Thomas L. Marchioro II, David K. Hoffmann

Journal:

Computer Physics Communications

Year:

1994

Language:

english

File:

PDF, 949 KB

english, 1994

9

On the Mathematical Properties of Distributed Approximating Functionals

Guowei Wei, Haixiang Wang, Donald J. Kouri, Manos Papadakis, Ioannis A. Kakadiaris, David K. Hoffman

Journal:

Journal of Mathematical Chemistry

Year:

2001

Language:

english

File:

PDF, 445 KB

english, 2001

10

General, energy-separable Faber polynomial representation of operator functions: Theory and application in quantum scattering

Huang, Youhong, Kouri, Donald J., Hoffman, David K.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.37 MB

english, 1994

11

A comparative study of time dependent quantum mechanical wave packet evolution methods

Truong, Thanh N., Tanner, John J., Bala, Piotr, McCammon, J. Andrew, Kouri, Donald J., Lesyng, Bogdan, Hoffman, David K.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 898 KB

english, 1992

12

Time-dependent treatment of scattering: potential referenced and kinetic energy referenced modified Cayley approaches to atom–diatom collisions and time-scale separations

A.Sharafeddin, Omar, Kouri, Donald J., Hoffman, David K.

Journal:

Canadian Journal of Chemistry

Year:

1992

Language:

english

File:

PDF, 454 KB

english, 1992

13

Time dependent integral equation approaches to quantum scattering: Comparative application to atom–rigid rotor multichannel scattering

Sharafeddin, Omar A., Kouri, Donald J., Judson, Richard S., Hoffman, David K.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 845 KB

english, 1992

14

Memory kernels from molecular dynamics

Berkowitz, Max, Morgan, John D., Kouri, Donald J., McCammon, J. Andrew

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 375 KB

english, 1981

15

Test of variational transition state theory and the least-action approximation for multidimensional tunneling probabilities against accurate quantal rate constants for a collinear reaction involving tunneling into an excited state

Garrett, Bruce C., Abusalbi, Najib, Kouri, Donald J., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 830 KB

english, 1985

16

Time-dependent treatment of scattering: Integral equation approaches using the time-dependent amplitude density

Hoffman, David K., Sharafeddin, Omar, Judson, Richard S., Kouri, Donald J.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.06 MB

english, 1990

17

Elastic electron transmission by barriers in a three-dimensional model quantum wire

Ma, Xin, Kouri, Donald J., Luban, Marshall, Nayar, Naresh, Hoffman, David K.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 606 KB

english, 1993

18

A comparison of three time-dependent wave packet methods for calculating electron–atom elastic scattering cross sections

Judson, Richard S., McGarrah, Dorothy B., Sharafeddin, Omar A., Kouri, Donald J., Hoffman, David K.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 909 KB

english, 1991

19

Comparisons of Morse and harmonic oscillator models for vibration-rotation excitation of H2 by Li+

Kouri, Donald J.

Journal:

The Journal of Chemical Physics

Year:

1974

Language:

english

File:

PDF, 823 KB

english, 1974

20

Hierarchy of Local Minimum Solutions of Heisenberg's Uncertainty Principle

Hoffman, David K., Kouri, Donald J.

Journal:

Physical Review Letters

Year:

2000

Language:

english

File:

PDF, 85 KB

english, 2000

21

Effect of rotational excitation on state-to-state differential cross sections: deuterium atom + hydrogen .fwdarw. hydrogen deuteride + hydrogen atom

Zhao, Meishan., Truhlar, Donald G., Schwenke, David W., Kouri, Donald J.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 1.41 MB

english, 1990

22

Distributed approximating function theory for an arbitrary number of particles in a coordinate system-independent formalism

Hoffman, David K., Kouri, Donald J.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 563 KB

english, 1993

23

Distributed approximating function theory: a general, fully quantal approach to wave propagation

Hoffman, David K., Kouri, Donald J.

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 808 KB

english, 1992

24

[Society of Exploration Geophysicists SEG Technical Program Expanded Abstracts 2014 - Denver, Colorado (26 October to 31 October)] SEG Technical Program Expanded Abstracts 2014 - Multi-dimensional Inverse acoustic scattering series using the Volterra renormalization of the Lippmann-Schwinger equation

Lesage, Anne-Cecile, Hussain, Fazle, Yao, Jie, Wijesinghe, Nelka, Kouri, Donald J.

Language:

english

File:

PDF, 631 KB

english

25

Adiabatic switching approach to multidimensional supersymmetric quantum mechanics for several excited states

Chou, Chia-Chun, Markovich, Thomas, Kouri, Donald J.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 1.16 MB

english, 2012

26

Scaled Fourier Transforms and Heisenberg’s Uncertainty Principle

Kouri, Donald J.

Journal:

Journal of the Chinese Chemical Society

Year:

2016

Language:

english

File:

PDF, 310 KB

english, 2016

27

Direct Approach to Density Functional Theory: Heaviside−Fermi Level Operator Using a Pseudopotential Treatment

Kouri, Donald J., Huang, Youhong, Hoffman, David K.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 358 KB

english, 1996

28

Semiclassical and Quantum Mechanical Calculations of Isotopic Kinetic Branching Ratios for the Reactionof O(3P) with HD

Lynch, Gillian C., Halvick, Philippe, Truhlar, Donald G., Garrett, Bruce C., Schwenke, David W., Kouri, Donald J.

Journal:

Zeitschrift für Naturforschung A

Year:

1989

Language:

english

File:

PDF, 6.34 MB

english, 1989

29

Texture-based tissue characterization for high-resolution CT scans of coronary arteries

Manos Papadakis, Bernhard G. Bodmann, Simon K. Alexander, Deborah Vela, Shikha Baid, Alex A. Gittens, Donald J. Kouri, S. David Gertz, Saurabh Jain, Juan R. Romero, Xiao Li, Paul Cherukuri, Dianna D.

Journal:

International Journal for Numerical Methods in Biomedical Engineering

Year:

2009

Language:

english

File:

PDF, 440 KB

english, 2009

30

Induction of mutagenesis and transformation in BALB/c-3T3 clone A31-1 cells by diverse chemical carcinogens

Ronald A. Lubet, Richard E. Kouri, Roger A. Curren, Donald L. Putman, Leonard M. Schechtman, J. R. McCormack

Journal:

Environmental and Molecular Mutagenesis

Year:

1990

Language:

english

File:

PDF, 798 KB

english, 1990

31

Morphological transformation of BALB/3T3 cells by various procarcinogens in the presence of a rat liver S-9 activation system

John T. McCarvill, Ronald A. Lubet, Leonard M. Schechtman, Richard E. Kouri, Donald L. Putman

Journal:

Environmental and Molecular Mutagenesis

Year:

1990

Language:

english

File:

PDF, 533 KB

english, 1990

32

Collinear quantum mechanical calculations of the He + H+2 proton transfer reactions

Donald J. Kouri, Michael Baer

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 255 KB

english, 1974

33

A coupled-states approximation study of Li+-H2 collisions

Donald J. Kouri, Paul McGuire

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 539 KB

english, 1974

34

Anharmonicity in rotational and vibrational excitation of H2 by Li+ collisions

Joachim Schaefer, William A. Lester Jr., Donald Kouri, Charles A. Wells

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 555 KB

english, 1974

35

On the decoupling of angular momenta in molecular collisions

Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 273 KB

english, 1975

36

Statisticaljz approximations for differential cross sections: preliminary results for He + H2 and He + CO2

Yair Shimoni, Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 618 KB

english, 1976

37

Diatom-diatom collisions: jz-conserving coupled states calculations for para-H2 + para-H2 scattering

Timothy G. Heil, Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 549 KB

english, 1976

38

On the coordinate-representation sudden approximation for atom-surface scattering

Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 184 KB

english, 1979

39

Dissociation of diatomic molecules into atoms with non-vanishing electronic angular momentum. physical motivation for theory

Yehuda B. Band, Karl F. Freed, Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 490 KB

english, 1981

40

Thermal rate constants for the D + HH (n = 1) reaction: comparison of rotationally averaged quantal sudden theory and experimental rates

Eli Pollak, Najib Abusalbi, Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 311 KB

english, 1985

41

Effect of orbital and rotational angular momentum averaging on branching ratios of dynamical resonances in the reaction H+p-H2→o-H2+H

Mirjana Mladenovic, Meishan Zhao, Donald G. Truhlar, David W. Schwenke, Yan Sun, Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 498 KB

english, 1988

42

Quantum-mechanical dynamics and quasiclassical trajectories for comparison to stimulated Raman pumping measurements of the high-energy state-to-state reaction dynamics of D+H2(ν=j=1)→HD(ν′=1,j′)+H

Normand C. Blais, Meishan Zhao, Donald G. Truhlar, David W. Schwenke, Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 709 KB

english, 1990

43

Total integral reactive cross sections for F + H2 → HF + H: comparison of converged quantum, quasiclassical trajectory and experimental results

Daniel Neuhauser, Richard S. Judson, Richard L. Jaffe, Michael Baer, Donald J. Kouri

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 416 KB

english, 1991

44

Time-to-energy transform of wavepackets using absorbing potentials. Time-independent wavepacket-Schrödinger and wavepacket-Lippmann—Schwinger equations

Donald J. Kouri, Mark Arnold, David K. Hoffman

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 762 KB

english, 1993

45

A general time-to-energy transform of wavepackets. Time-independent wavepacket-Schrödinger and wavepacket-Lippmann—Schwinger equations

Youhong Huang, Wei Zhu, Donald J. Kouri, David K. Hoffman

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 527 KB

english, 1993

46

Analytic continuation of the polynomial representation of the full, interacting time-independent Green function

Youhong Huang, Wei Zhu, Donald J. Kouri, David K. Hoffman

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 389 KB

english, 1993

47

Monte carlo evaluation of real time Feynman path integrals using distributed approximating functions. Modified-Cayley versus symmetric split-operator formalism

Xin Ma, Donald J. Kouri, David K. Hoffman

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 444 KB

english, 1993

48

Analytical evaluation of the energy derivative of the S matrix in the time-independent wavepacket approach to quantum scattering

Donald J. Kouri, Wei Zhu, Youhong Huang, David K. Hoffman

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 594 KB

english, 1994

49

A general, energy-separable polynomial representation of the time-independent full Green operator with application to time-independent wavepacket forms of Schrödinger and Lippmann—Schwinger equations

Youhong Huang, Donald J. Kouri, David K. Hoffman

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 705 KB

english, 1994

50

New approach to quantum dynamics: recursive, average case complexity, distributed approximating functional method for time-independent wavepacket forms of Schrödinger and Lippmann-Schwinger equations

Youhong Huang, Donald J. Kouri, David K. Hoffman

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 536 KB

english, 1995