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51

Langevin molecular dynamics with quantum forces: Application to silicon clusters

Binggeli, N., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 384 KB

english, 1994

52

Electronic and structural properties of elemental copper: A pseudopotential – local-orbital calculation

Chelikowsky, James R., Chou, M. Y.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 286 KB

english, 1988

53

Relaxation effects on the (110) surface of GaAs

Chelikowsky, James R., Louie, Steven G., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1976

Language:

english

File:

PDF, 306 KB

english, 1976

54

:Ru

Glassford, Keith M., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 203 KB

english, 1993

55

Line defects in silicon: The 90° partial dislocation

Chelikowsky, James R., Spence, J. C. H.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 661 KB

english, 1984

56

Electronic structure of Al chemisorbed on the Si (111) surface

Chelikowsky, James R.

Journal:

Physical Review B

Year:

1977

Language:

english

File:

PDF, 690 KB

english, 1977

57

Mechanical instabilities in

Keskar, Nitin R., Chelikowsky, James R., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 523 KB

english, 1994

58

High-pressure phase transitions in diamond and zinc-blende semiconductors

Chelikowsky, James

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 332 KB

english, 1987

59

Ab initio pseudopotential – local-density description of the structural properties of small carbon clusters

Chelikowsky, James R., Chou, M. Y.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 360 KB

english, 1988

60

"Thomas-Fermi-pseudopotential" approach for calculating the static properties of simple metals

Chelikowsky, James R.

Journal:

Physical Review B

Year:

1980

Language:

english

File:

PDF, 934 KB

english, 1980

61

Theoretical study of the cohesive and structural properties of Mo and W in bcc, fcc, and hcp structures

Chan, C. T., Vanderbilt, David, Louie, Steven G., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 529 KB

english, 1986

62

Chemical trends in the structural stability of binary crystals

Chelikowsky, James R.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 1001 KB

english, 1986

63

Self-consistent pseudopotential calculations for the ideal (001) surface of Nb

Louie, Steven G., Ho, Kai-Ming, Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1977

Language:

english

File:

PDF, 989 KB

english, 1977

64

Theoretical study of hydrogen adsorption on Ru(0001): Possible surface and subsurface occupation sites

Chou, M. Y., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 525 KB

english, 1989

65

Electronic structure of a Pd monolayer on an Si (111) surface

Ihm, J., Cohen, Marvin L., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1980

Language:

english

File:

PDF, 741 KB

english, 1980

66

Self-consistent pseudopotential calculation of the electronic structure of Nb

Ho, K. M., Louie, Steven G., Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1977

Language:

english

File:

PDF, 520 KB

english, 1977

67

Nucleation of carbon clusters

Jing, Xiaodun, Chelikowsky, James R.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 415 KB

english, 1992

68

Pressure-induced amorphization, elastic instability, and soft modes in α-quartz

Binggeli, N., Keskar, Nitin R., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 597 KB

english, 1994

69

GaP photovoltage transients

Dahlberg, S. C., Chelikowsky, J. R., Orr, W. A.

Journal:

Physical Review B

Year:

1977

Language:

english

File:

PDF, 416 KB

english, 1977

70

Electronic surface states on the relaxed (111) surface of Ge

Chelikowsky, James R.

Journal:

Physical Review B

Year:

1977

Language:

english

File:

PDF, 501 KB

english, 1977

71

Ionicity and the theory of Schottky barriers

Louie, Steven G., Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1977

Language:

english

File:

PDF, 733 KB

english, 1977

72

Electronic and structural properties of

Glassford, Keith M., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 495 KB

english, 1993

73

Electronic structure of the Al-GaAs(110) surface chemisorption system

Chelikowsky, J. R., Chadi, D. J., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1981

Language:

english

File:

PDF, 1.44 MB

english, 1981

74

Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1×1) and reconstructed (2×1) model structures

Schlüter, M., Chelikowsky, James R., Louie, Steven G., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1975

Language:

english

File:

PDF, 1.10 MB

english, 1975

75

Self-consistent electronic states for reconstructed Si vacancy models

Louie, Steven G., Schlüter, M., Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1976

Language:

english

File:

PDF, 1.19 MB

english, 1976

76

Nucleation of carbon clusters via an accretion model

Jing, Xiaodun, Chelikowsky, James R.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 216 KB

english, 1992

77

Anomalous elastic behavior in crystalline silica

Keskar, Nitin R., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 433 KB

english, 1993

78

Metal-insulator transition and the stability of rocksalt and zinc-blende crystal structures

Chelikowsky, James R.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 337 KB

english, 1986

79

Diagrammatic separation scheme for transition-metal binary compounds

Chelikowsky, James R.

Journal:

Physical Review B

Year:

1982

Language:

english

File:

PDF, 158 KB

english, 1982

80

Simulating the amorphization of α-quartz under pressure

Binggeli, N., Chelikowsky, James R., Wentzcovitch, R. M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 719 KB

english, 1994

81

Real-space pseudopotential method for spin-orbit coupling within density functional theory

Naveh, Doron, Kronik, Leeor, Tiago, Murilo L., Chelikowsky, James R.

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 103 KB

english, 2007

82

First-principles simulation of liquid silicon using Langevin dynamics with quantum interatomic forces

Chelikowsky, James R., Troullier, N., Binggeli, N.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 328 KB

english, 1994

83

Theoretical study of Cl adsorption on the GaAs(110) surface

Corkill, Jennifer L., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 860 KB

english, 1994

84

[Springer Series in Solid-State Sciences] Electronic Structure and Optical Properties of Semiconductors Volume 75 || Wurtzite Structure Semiconductors

Cohen, Marvin L., Chelikowsky, James R.

Year:

1989

Language:

english

File:

PDF, 4.15 MB

english, 1989

85

High order forces and nonlocal operators in a Kohn–Sham Hamiltonian

Scott Bobbitt, N., Schofield, Grady, Lena, Charles, Chelikowsky, James R.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.95 MB

english, 2015

86

CO tip functionalization in subatomic resolution atomic force microscopy

Kim, Minjung, Chelikowsky, James R.

Journal:

Applied Physics Letters

Year:

2015

Language:

english

File:

PDF, 691 KB

english, 2015

87

Orientation dependence of the work function for metal nanocrystals

Gao, Lingyuan, Souto-Casares, Jaime, Chelikowsky, James R., Demkov, Alexander A.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 17.91 MB

english, 2017

88

Accuracy of Partial Core Corrections Using Fourier Transforms in Pseudopotential–Density Functional Theory

Gao, Weiwei, Chelikowsky, James R.

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.05 MB

english, 2018

89

Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC

Liou, Kai-Hsin, Yang, Chao, Chelikowsky, James R.

Journal:

Computer Physics Communications

Year:

2020

File:

PDF, 886 KB

2020

90

Melting point trends in intermetallic alloys

James R. Chelikowsky, Karen E. Anderson

Journal:

Journal of Physics and Chemistry of Solids

Year:

1987

Language:

english

File:

PDF, 937 KB

english, 1987

91

Semiconductor interfaces

G. Margaritondo, L.J. Brillson, V. Brusic, J.R. Chelikowsky, R.W. Grant, G.W. Rubloff

Journal:

Materials Science and Engineering

Year:

1986

Language:

english

File:

PDF, 1.02 MB

english, 1986

92

Self-consistent pseudopotential calculation for the (111) surface of aluminum

J.R. Chelikowsky, M. Schlüter, S.G. Louie, M.L. Cohen

Journal:

Solid State Communications

Year:

1975

Language:

english

File:

PDF, 298 KB

english, 1975

93

Electron states in α-quartz (SiO2)

M. Schluter, J.R. Chelikowsky

Journal:

Solid State Communications

Year:

1977

Language:

english

File:

PDF, 378 KB

english, 1977

94

An oxygen pseudopotential: Application to the electronic structure of ZnO

James R. Chelikowsky

Journal:

Solid State Communications

Year:

1977

Language:

english

File:

PDF, 346 KB

english, 1977

95

Electron states in α-quartz (SiO2)

M. Schluter, J.R. Chelikowsky

Journal:

Solid State Communications

Year:

1977

Language:

english

File:

PDF, 368 KB

english, 1977

96

Electronic states on the relaxed (110) surface of GaAs

J.R. Chelikowsky, M.L. Cohen

Journal:

Solid State Communications

Year:

1979

Language:

english

File:

PDF, 483 KB

english, 1979

97

Validity of local density kinetic energy expressions for electronic structure calculations

J.R Chelikowsky

Journal:

Solid State Communications

Year:

1980

Language:

english

File:

PDF, 395 KB

english, 1980

98

Bulk and surface electron states in ruthenium

N.A.W. Holzwarth, J.R. Chelikowsky

Journal:

Solid State Communications

Year:

1985

Language:

english

File:

PDF, 338 KB

english, 1985

99

A semi-empirical total energy method for elemental clusters and solids: Application to the structural properties of silicon clusters

J.R. Chelikowsky, R. Redwing

Journal:

Solid State Communications

Year:

1987

Language:

english

File:

PDF, 332 KB

english, 1987

100

First principles simulation of liquid silicon

James R. Chelikowsky, N. Binggeli

Journal:

Solid State Communications

Year:

1993

Language:

english

File:

PDF, 397 KB

english, 1993