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1

Comprehensive Semiconductor Science and Technology || Electrons in Semiconductors: Empirical and ab initio Pseudopotential Theories

Chelikowsky, J.R.

Year:

2011

Language:

english

File:

PDF, 1.84 MB

english, 2011

2

Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors

Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1976

Language:

english

File:

PDF, 1.90 MB

english, 1976

3

Higher-order finite-difference pseudopotential method: An application to diatomic molecules

Chelikowsky, James R., Troullier, N., Wu, K., Saad, Y.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 539 KB

english, 1994

4

Electronic and structural properties of TiO2 in the rutile structure

Keith M. Glassford, N. Troullier, JoséLuís Martins, James R. Chelikowsky

Journal:

Solid State Communications

Year:

1990

Language:

english

File:

PDF, 365 KB

english, 1990

5

Electronic structure of silicon

Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1974

Language:

english

File:

PDF, 831 KB

english, 1974

6

A new idea on continental drift

Chelikowsky, J. R.

Journal:

American Journal of Science

Year:

1944

File:

PDF, 4.62 MB

1944

7

Calculated Valence-Band Densities of States and Photoemission Spectra of Diamond and Zinc-Blende Semiconductors

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

Journal:

Physical Review B

Year:

1973

Language:

english

File:

PDF, 517 KB

english, 1973

8

Theoretical study of the electronic, structural, and cohesive properties of ruthenium

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

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 826 KB

english, 1986

9

Quantum-defect theory of heats of formation and structural transition energies of liquid and solid simple metal alloys and compounds

Chelikowsky, J. R., Phillips, J. C.

Journal:

Physical Review B

Year:

1978

Language:

english

File:

PDF, 2.03 MB

english, 1978

10

Finite-difference-pseudopotential method: Electronic structure calculations without a basis

Chelikowsky, James R., Troullier, N., Saad, Y.

Journal:

Physical Review Letters

Year:

1994

Language:

english

File:

PDF, 327 KB

english, 1994

11

Erratum: Electron charge densities at conduction-band edges of semiconductors

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

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 61 KB

english, 1987

12

Erratum: Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors

Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 69 KB

english, 1984

13

Ab initio molecular-dynamics simulations of Si clusters using the higher-order finite-difference-pseudopotential method

Jing, Xiaodun, Troullier, N., Dean, David, Binggeli, N., Chelikowsky, James R., Wu, K., Saad, Y.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 176 KB

english, 1994

14

Discrimination of Bond Order in Organic Molecules Using Noncontact Atomic Force Microscopy

Fan, Dingxin, Sakai, Yuki, Chelikowsky, James R.

Journal:

Year:

2019

Language:

english

File:

PDF, 19.49 MB

english, 2019

15

Electronic Structure Methods for Predicting the Properties of Materials: Grids in Space

J.R. Chelikowsky, Y. Saad, S. Öğüt, I. Vasiliev, A. Stathopoulos

Journal:

physica status solidi (b)

Year:

2000

Language:

english

File:

PDF, 428 KB

english, 2000

16

Surface states and metal overlayers on the (110) surface of GaAs

J.R. Chelikowsky, S.G. Louie, Marvin L. Cohen

Journal:

Solid State Communications

Year:

1976

Language:

english

File:

PDF, 368 KB

english, 1976

17

An energy density functional-pseudopotential method for calculating the cohesive properties of metals

James R. Chelikowsky

Journal:

Solid State Communications

Year:

1979

Language:

english

File:

PDF, 432 KB

english, 1979

18

Application of time-dependent density-functional theory to molecules and nanostructures

Igor Vasiliev, Marie Lopez del Puerto, Manish Jain, Alejandro Lugo-Solis, James R. Chelikowsky

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 2.23 MB

english, 2009

19

Absorption spectra of germanium nanocrystals

Dmitriy V. Melnikov, James R. Chelikowsky

Journal:

Solid State Communications

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

20

PARSEC – the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures

Leeor Kronik, Adi Makmal, Murilo L. Tiago, M. M. G. Alemany, Manish Jain, Xiangyang Huang, Yousef Saad, James R. Chelikowsky

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 933 KB

english, 2006

21

Solution of large eigenvalue problems in electronic structure calculations

Y. Saad, A. Stathopoulos, J. Chelikowsky, K. Wu, S. Öğüt

Journal:

BIT Numerical Mathematics

Year:

1996

Language:

english

File:

PDF, 933 KB

english, 1996

22

Parallel implementation of time-dependent density functional theory

W.Russell Burdick, Yousef Saad, Leeor Kronik, Igor Vasiliev, Manish Jain, James R. Chelikowsky

Journal:

Computer Physics Communications

Year:

2003

Language:

english

File:

PDF, 347 KB

english, 2003

23

GEOLOGIC DISTRIBUTION OF FIRE CLAYS IN THE UNITED STATES

J. R. Chelikowsky

Journal:

Journal of the American Ceramic Society

Year:

1935

Language:

english

File:

PDF, 2.22 MB

english, 1935

24

Electron states in α-quartz: A self-consistent pseudopotential calculation

Chelikowsky, James, Schlüter, M.

Journal:

Physical Review B

Year:

1977

Language:

english

File:

PDF, 717 KB

english, 1977

25

IIIb-3 orientation dependence of impact ionization by electrons and holes in GaAs

Pearsall, T.P., Nahory, R.E., Chelikowsky, J.R.

Journal:

IEEE Transactions on Electron Devices

Year:

1977

Language:

english

File:

PDF, 145 KB

english, 1977

26

Microscopic basis of Miedema's theory of alloy formation

Chelikowsky, James

Journal:

Physical Review B

Year:

1982

Language:

english

File:

PDF, 197 KB

english, 1982

27

Ab initio molecular dynamics simulations of molten Al_{1−x}Si_{x} alloys

Khoo, K., Chan, T.-L., Kim, M., Chelikowsky, James

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 603 KB

english, 2011

28

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

Cohen, Marvin L., Chelikowsky, James R.

Year:

1988

Language:

english

File:

PDF, 2.18 MB

english, 1988

29

Magnetic Properties of Fe/Cu Codoped ZnO Nanocrystals

Viswanatha, Ranjani, Naveh, Doron, Chelikowsky, James R., Kronik, Leeor, Sarma, D. D.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.80 MB

english, 2012

30

Structural properties of nine silica polymorphs

Keskar, Nitin R., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 728 KB

english, 1992

31

Time-dependent density-functional calculations for the optical spectra of molecules, clusters, and nanocrystals

Chelikowsky, James R, Kronik, Leeor, Vasiliev, Igor

Journal:

Journal of Physics Condensed Matter

Year:

2003

Language:

english

File:

PDF, 876 KB

english, 2003

32

First-principles density-functional calculations for optical spectra of clusters and nanocrystals

Vasiliev, Igor, Öğüt, Serdar, Chelikowsky, James R.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 857 KB

english, 2002

33

Structural and electronic properties of titanium dioxide

Glassford, Keith M., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 869 KB

english, 1992

34

Optical properties of titanium dioxide in the rutile structure

Glassford, Keith M., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 162 KB

english, 1992

35

nanowires

Han, Jiaxin, Chan, Tzu-Liang, Chelikowsky, James R.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 229 KB

english, 2010

36

Self-consistent pseudopotential calculation for the relaxed (110) surface of GaAs

Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1979

Language:

english

File:

PDF, 832 KB

english, 1979

37

Step-formation energies and domain orientations at Si(111) surfaces

Chadi, D. J., Chelikowsky, J. R.

Journal:

Physical Review B

Year:

1981

Language:

english

File:

PDF, 156 KB

english, 1981

38

Real-space pseudopotential method for computing the electronic properties of periodic systems

Alemany, M. M. G., Jain, Manish, Kronik, Leeor, Chelikowsky, James R.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 71 KB

english, 2004

39

First-principles linear combination of atomic orbitals method for the cohesive and structural properties of solids: Application to diamond

Chelikowsky, James R., Louie, Steven G.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 1.55 MB

english, 1984

40

(110) surface states in III-V and II-VI zinc-blende semiconductors

Chelikowsky, James R., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1976

Language:

english

File:

PDF, 1.10 MB

english, 1976

41

clusters via Langevin molecular dynamics

Chelikowsky, James R.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 496 KB

english, 1992

42

Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems

Natan, Amir, Benjamini, Ayelet, Naveh, Doron, Kronik, Leeor, Tiago, Murilo L., Beckman, Scott P., Chelikowsky, James R.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 207 KB

english, 2008

43

Orientation Dependence of Free-Carrier Impact Ionization in Semiconductors: GaAs

Pearsall, T. P., Nahory, R. E., Chelikowsky, J. R.

Journal:

Physical Review Letters

Year:

1977

Language:

english

File:

PDF, 626 KB

english, 1977

44

Hybridization and Bond-Orbital Components in Site-Specific X-Ray Photoelectron Spectra of Rutile

Woicik, J. C., Nelson, E. J., Kronik, Leeor, Jain, Manish, Chelikowsky, James R., Heskett, D., Berman, L. E., Herman, G. S.

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 100 KB

english, 2002

45

rutile

Glassford, Keith M., Chelikowsky, James R.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 440 KB

english, 1994

46

Self-consistent pseudopotential method for localized configurations: Molecules

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

Journal:

Physical Review B

Year:

1975

Language:

english

File:

PDF, 439 KB

english, 1975

47

Electron charge densities at conduction-band edges of semiconductors

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

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 616 KB

english, 1986

48

Structural properties of the Ru(0001) surface

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

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 176 KB

english, 1987

49

Electronic structure of the unreconstructed 30° partial dislocation in silicon

Northrup, John E., Cohen, Marvin L., Chelikowsky, James R., Spence, J., Olsen, A.

Journal:

Physical Review B

Year:

1981

Language:

english

File:

PDF, 1.07 MB

english, 1981

50

Solid solubilities in divalent alloys

Chelikowsky, J. R.

Journal:

Physical Review B

Year:

1979

Language:

english

File:

PDF, 1.09 MB

english, 1979