Ermler, Walter C.: search on Z-Library

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1

Ab initio effective core potentials including relativistic effects. II. Potential energy curves for Xe2, Xe+2, and Xe∗2

Ermler, Walter C., Lee, Yoon S., Pitzer, Kenneth S., Winter, Nicholas W.

Journal:

The Journal of Chemical Physics

Year:

1978

Language:

english

File:

PDF, 821 KB

english, 1978

2

Relativistic Effects in Chemistry Part A: Theory and Techniques By Krishnan Balasubramanian (Arizona State University). Wiley Interscience: New York. 1997. xiii + 301 pp. $145.00 (paperback $84.95). ISBN 0-471-30400-X.

Ermler, Walter C.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 16 KB

english, 1998

3

Ab initio study of quantum confinement effects in lead iodide heptamer semiconductor clusters

Sawamura, Makoto., Ermler, Walter C.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 1.08 MB

english, 1990

4

Ab initio effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au2

Ermler, Walter C., Lee, Yoon S., Pitzer, Kenneth S.

Journal:

The Journal of Chemical Physics

Year:

1979

Language:

english

File:

PDF, 592 KB

english, 1979

5

Ab initio effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au2+, TlH, PbS, and PbSe

Lee, Yoon S., Ermler, Walter C., Pitzer, Kenneth S.

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 789 KB

english, 1980

6

Ab initio effective core potentials including relativistic effects. III. Ground state Au2 calculations

Lee, Yoon S., Ermler, Walter C., Pitzer, Kenneth S., McLean, A. D.

Journal:

The Journal of Chemical Physics

Year:

1979

Language:

english

File:

PDF, 582 KB

english, 1979

7

Molecular orbital correlation diagrams for He2, He2+, N2, N2+, CO, and CO+

Ermler, Walter C., Mulliken, Robert S., Wahl, Arnold C.

Journal:

The Journal of Chemical Physics

Year:

1977

Language:

english

File:

PDF, 732 KB

english, 1977

8

Polyatomic surface fitting, vibrational-rotational analysis, expectation value and intensity program

Walter C. Ermler, Hsiuchin C. Hsieh, Lawrence B. Harding

Journal:

Computer Physics Communications

Year:

1988

Language:

english

File:

PDF, 1.69 MB

english, 1988

9

Ab initio SCF computations on benzene and the benzenium ion using a large contracted gaussian basis set

Ermler, Walter C., Mulliken, Robert S., Clementi, Enrico

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 806 KB

english, 1976

10

Ab initio SCF computations on toluene and the toluenium ion using a large contracted Gaussian basis set

Ermler, Walter C., Mulliken, Robert S.

Journal:

Journal of the American Chemical Society

Year:

1978

Language:

english

File:

PDF, 708 KB

english, 1978

11

Electronic states and geometries of small Be clusters

Marino, Maria M., Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.09 MB

english, 1987

12

Carbon molecule (C60) and its ions: electronic structure, ionization potentials, and excitation energies

Chang, Agnes H. H., Ermler, Walter C., Pitzer, Russell M.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 540 KB

english, 1991

13

The ground and excited states of C60M and C60M+ (M=O, F, K, Ca, Mn, Cs, Ba, La, Eu, U)

Chang, Agnes H. H., Ermler, Walter C., Pitzer, Russell M.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 725 KB

english, 1991

14

Ab initio cluster model study of polymer–metal interactions

Mustafa Akbulut, Walter C. Ermler, Dilhan M. Kalyon

Journal:

Computational and Theoretical Polymer Science

Year:

1997

Language:

english

File:

PDF, 147 KB

english, 1997

15

Ab initio calculations including relativistic effects for diatomic silver, diatomic gold, silver-gold (AgAu), silver hydride (AgH), and gold hydride (AuH)

Ross, Richard B., Ermler, Walter C.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 697 KB

english, 1985

16

Study of Polymorph Prediction For L-Ascorbic Acid

Arslantas, Ali, Ermler, Walter, Yazici, Rahmi, Kalyon, Dilhan

Journal:

International Journal of Molecular Sciences

Year:

2005

Language:

english

File:

PDF, 139 KB

english, 2005

17

An ab initio study of the f–f spectroscopy of americium +3

Tilson, Jeffrey L., Naleway, Conrad, Seth, Michael, Shepard, Ron, Wagner, Albert F., Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 718 KB

english, 2002

18

Nuclear corrections to molecular properties. V. Refinements in ab initio normal-coordinate potential energy and property surfaces for water and their effect on the vibrational analysis

Ermler, Walter C., Krohn, Burton J.

Journal:

The Journal of Chemical Physics

Year:

1977

Language:

english

File:

PDF, 1.15 MB

english, 1977

19

Ab initio effective core potentials including relativistic effects. I. Formalism and applications to the Xe and Au atoms

Lee, Yoon S., Ermler, Walter C., Pitzer, Kenneth S.

Journal:

The Journal of Chemical Physics

Year:

1977

Language:

english

File:

PDF, 1.13 MB

english, 1977

20

Massively parallel spin–orbit configuration interaction

Jeffrey L. Tilson,Walter C. Ermler

Journal:

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

Year:

2014

Language:

english

File:

PDF, 507 KB

english, 2014

21

Ab initio study of gallium arsenide surface passivation by sulfur

Gayen, Sanjukta, Ermler, Walter C., Sandroff, Claude J.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 557 KB

english, 1991

22

Vibrational-rotational analysis of ab initio potential energy surfaces for symmetric-top molecules: application to ammonia isotopomers

Hargiss, Leonard O., Ermler, Walter C.

Journal:

Journal of Physical Chemistry

Year:

1988

Language:

english

File:

PDF, 866 KB

english, 1988

23

Ab initio calculations of potential energy curves and transition moments of 1Σ+g and 1Σ+u states of N2

Ermler, Walter C., Clark, Joseph P., Mulliken, Robert S.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 659 KB

english, 1987

24

Ab initio determination of americium ionization potentials

Tilson, Jeffrey L., Shepard, Ron, Naleway, Conrad, Wagner, Albert F., Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 328 KB

english, 2000

25

Ab initio vibrational transition dipole moments and intensities of formaldehyde

Hsiuchin C. Hsieh, Walter C. Ermler

Journal:

Journal of Computational Chemistry

Year:

1988

Language:

english

File:

PDF, 1021 KB

english, 1988

26

The quartic force field of H2O determined by many-body methods. II. Effects of triple excitations

Bartlett, Rodney J., Cole, Samuel J., Purvis, George D., Ermler, Walter C., Hsieh, Hsiuchin C., Shavitt, Isaiah

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.23 MB

english, 1987

27

Theoretical study of GaAs surface passivation with Se

Gayen, Sanjukta, Ermler, Walter C., Sandroff, Claude J.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 652 KB

english, 1991

28

Study of Polymorph Prediction for L-Ascorbic Acid [Int. J. Mol. Sci. 2005, 6, 291-302]

Arslantas, Ali, Ermler, Walter, Yazici, Rahmi, Kalyon, Dilhan

Journal:

International Journal of Molecular Sciences

Year:

2006

Language:

english

File:

PDF, 12 KB

english, 2006

29

Numerical MC SCF and CI calculations of the ground-state potential energy curve of N2

Walter C. Ermler, Chen-Wen Huang

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 111 KB

english, 1985

30

Symbolic implementation of arbitrary-order perturbation theory using computer algebra: Application to vibrational–rotational analysis of diatomic molecules

John M. Herbert, Walter C. Ermler

Journal:

Computers & Chemistry

Year:

1998

Language:

english

File:

PDF, 583 KB

english, 1998

31

Erratum: “Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118” [J. Chem. Phys. 106, 5133 (1997)]

Nash, Clinton S., Bursten, Bruce E., Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 159 KB

english, 1999

32

Generally contracted valence–core/valence basis sets for use with relativistic effective core potentials and spin–orbit coupling operators

Walter C. Ermler, Jeffrey L. Tilson

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 267 KB

english, 2012

33

Polyatomic, anharmonic, vibrational–rotational analysis. Application to accurate ab initio results for formaldehyde

Lawrence B. Harding, Walter C. Ermler

Journal:

Journal of Computational Chemistry

Year:

1985

Language:

english

File:

PDF, 1.02 MB

english, 1985

34

Theoretical studies of atmospheric triatomic molecules: Ab initio characterization of Rydberg series in CO2

Walter B. England, Walter C. Ermler

Journal:

Journal of Molecular Spectroscopy

Year:

1981

Language:

english

File:

PDF, 490 KB

english, 1981

35

Energies and orbital sizes for some Rydberg and valence states of the nitrogen molecule

Walter C. Ermler, Robert S. Mulliken

Journal:

Journal of Molecular Spectroscopy

Year:

1976

Language:

english

File:

PDF, 493 KB

english, 1976

36

[Advances in Quantum Chemistry] Volume 19 || Spin-Orbit Coupling and Other Relativistic Effects in Atoms and Molecules

Ermler, Walter C.

Year:

1988

Language:

english

File:

PDF, 2.30 MB

english, 1988

37

An ab initio study of the ionization potentials and f–f spectroscopy of europium atoms and ions

Naleway, Conrad, Seth, Michael, Shepard, Ron, Wagner, Albert F., Tilson, Jeffrey L., Ermler, Walter C., Brozell, Scott R.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 373 KB

english, 2002

38

Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118

Nash, Clinton S., Bursten, Bruce E., Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 376 KB

english, 1997

39

Erratum: Ab initio calculations of potential energy curves of Hg 2 and TlHg [J. Chem. Phys. 81 , 1872 (1984)]

Celestino, Karen Calvert, Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 566 KB

english, 1985

40

Ab initio relativistic effective potentials with spin–orbit operators. V. Ce through Lu

Ross, Richard B., Gayen, Sanjukta, Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 828 KB

english, 1994

41

Theoretical studies of atmospheric triatomic molecules: Accurate SCF vertical spectrum for valence, mixed character, and Rydberg states of CO2

England, Walter B., Ermler, Walter C., Wahl, Arnold C.

Journal:

The Journal of Chemical Physics

Year:

1977

Language:

english

File:

PDF, 763 KB

english, 1977

42

CI potential energy curves for three states of RuO2+

Jeffrey L. Tilson, Walter C. Ermler, Robert J. Fowler

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 614 KB

english, 2011

43

Interpretation of scanning tunneling microscope images showing anomalous periodic structures

Sawamura, Makoto, Womelsdorf, John F., Ermler, Walter C.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 1.60 MB

english, 1991

44

Ab initio calculations of potential energy curves of Hg2 and TlHg

Celestino, Karen Calvert, Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 1.02 MB

english, 1984

45

Improved ab initio effective potentials for Ar, Kr, and Xe with applications to their homonuclear dimers

Christiansen, Phillip A., Pitzer, Kenneth S., Lee, Yoon S., Yates, John H., Ermler, Walter C., Winter, Nicholas W.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 590 KB

english, 1981

46

SPIE Proceedings [SPIE OE/LASE '89, 15-20 Jan., Los Angeles. CA - Los Angeles, CA (Sunday 15 January 1989)] Microwave and Particle Beam Sources and Directed Energy Concepts - Structure And Properties Of Cesium-Coated Surfaces And The Effects Of Hydrogen And Oxygen Implantation

Ermler, Walter C., Marino, Maria M., Brandt, Howard E.

Year:

1989

Language:

english

File:

PDF, 508 KB

english, 1989

47

jj-Coupling-based atomic self-consistent-field calculations with relativistic effective core potentials and two-component spinors

Ermler, Walter C.

Journal:

Computer Physics Communications

Year:

2018

Language:

english

File:

PDF, 303 KB

english, 2018

48

Comment on “comparison of the widely used HF pseudo-potentials: MH+ (M = Fe, Ru, Os)”

Dirk Andrae, Michael Dolg, Hermann Stoll, Walter C. Ermler

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 340 KB

english, 1994

49

Ab initio study of the electronic spectrum of a Cs11O3 cluster

Wang, Ping, Ermler, Walter C.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 683 KB

english, 1991

50

Ab initio study of K adsorption on a Ag(100) surface

Sanjukta Gayen, Walter C. Ermler

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 474 KB

english, 1992

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