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1

Beyond the local-density approximation in calculations of ground-state electronic properties

Langreth, David C., Mehl, M. J.

Journal:

Physical Review B

Année:

1983

Langue:

english

Fichier:

PDF, 2.42 MB

english, 1983

2

Higher-accuracy van der Waals density functional

Lee, Kyuho, Murray, Éamonn, Kong, Lingzhu, Lundqvist, Bengt, Langreth, David

Journal:

Physical Review B

Année:

2010

Langue:

english

Fichier:

PDF, 197 KB

english, 2010

3

Theory of nonuniform electronic systems. I. Analysis of the gradient approximation and a generalization that works

Langreth, David C., Perdew, John P.

Journal:

Physical Review B

Année:

1980

Langue:

english

Fichier:

PDF, 1.40 MB

english, 1980

4

Friedel Sum Rule for Anderson's Model of Localized Impurity States

Langreth, David C.

Journal:

Physical Review (Series I)

Année:

1966

Langue:

english

Fichier:

PDF, 257 KB

english, 1966

5

Theory of Spin Resonance in Dilute Magnetic Alloys

Langreth, David C., Wilkins, John W.

Journal:

Physical Review B

Année:

1972

Langue:

english

Fichier:

PDF, 2.85 MB

english, 1972

6

Exchange-correlation energy of a metallic surface: Wave-vector analysis

Langreth, David C., Perdew, John P.

Journal:

Physical Review B

Année:

1977

Langue:

english

Fichier:

PDF, 1.17 MB

english, 1977

7

Theory of spin resonance in dilute magnetic alloys. II

Sweer, John, Langreth, David C., Wilkins, John W.

Journal:

Physical Review B

Année:

1976

Langue:

english

Fichier:

PDF, 1.81 MB

english, 1976

8

Deep-Hole Excitations in Solids. I. Fast-Electron-Plasmon Effects

Chang, Jhy-Jiun, Langreth, David C.

Journal:

Physical Review B

Année:

1972

Langue:

english

Fichier:

PDF, 826 KB

english, 1972

9

Deep-Hole Excitations in Solids. II. Plasmons and Surface Effects in X-Ray Photoemission

Chang, Jhy-Jiun, Langreth, David C.

Journal:

Physical Review B

Année:

1973

Langue:

english

Fichier:

PDF, 1.13 MB

english, 1973

10

Comment on the form of the x-ray photoemission singularity away from threshold

Shung, Kenneth, Langreth, David C.

Journal:

Physical Review B

Année:

1981

Langue:

english

Fichier:

PDF, 440 KB

english, 1981

11

Exchange-correlation energy of a metallic surface: Wave-vector analysis. II

Langreth, David C., Perdew, John P.

Journal:

Physical Review B

Année:

1982

Langue:

english

Fichier:

PDF, 501 KB

english, 1982

12

Derivation of the Landauer conductance formula

Langreth, David C., Abrahams, Elihu

Journal:

Physical Review B

Année:

1981

Langue:

english

Fichier:

PDF, 516 KB

english, 1981

13

Easily Implementable Nonlocal Exchange-Correlation Energy Functional

Langreth, David C., Mehl, M. J.

Journal:

Physical Review Letters

Année:

1981

Langue:

english

Fichier:

PDF, 894 KB

english, 1981

14

Nearly elastic scattering and the trajectory approximation

Burke, Kieron, Gumhalter, Branko, Langreth, David C.

Journal:

Physical Review B

Année:

1993

Langue:

english

Fichier:

PDF, 564 KB

english, 1993

15

Phase Rule for Wave Functions near Metallic Surfaces

Langreth, David C.

Journal:

Physical Review B

Année:

1972

Langue:

english

Fichier:

PDF, 143 KB

english, 1972

16

Vibrational dephasing at surfaces: The role of cubic anharmonicity and Fermi resonances

Burke, Kieron, Langreth, David C., Persson, Mats, Zhang, Z.-Y.

Journal:

Physical Review B

Année:

1993

Langue:

english

Fichier:

PDF, 870 KB

english, 1993

17

Many-body theory for charge transfer in atom-surface collisions

Shao, Hongxiao, Langreth, David C., Nordlander, Peter

Journal:

Physical Review B

Année:

1994

Langue:

english

Fichier:

PDF, 1.10 MB

english, 1994

18

Copper adsorption potentials of MgO(001)

Li, Ye, Langreth, David C., Pederson, Mark R.

Journal:

Physical Review B

Année:

1995

Langue:

english

Fichier:

PDF, 757 KB

english, 1995

19

in metal organic framework materials

Yao, Yanpeng, Nijem, Nour, Li, Jing, Chabal, Yves J., Langreth, David C., Thonhauser, T.

Journal:

Physical Review B

Année:

2012

Langue:

english

Fichier:

PDF, 444 KB

english, 2012

20

Erratum: Beyond the local-density approximation in calculations of ground-state electronic properties

Langreth, David C., Mehl, M. J.

Journal:

Physical Review B

Année:

1984

Langue:

english

Fichier:

PDF, 23 KB

english, 1984

21

Nonadiabatic effects in charge transfer in atom-surface scattering

Shao, Hongxiao, Nordlander, Peter, Langreth, David C.

Journal:

Physical Review B

Année:

1995

Langue:

english

Fichier:

PDF, 279 KB

english, 1995

22

Macroscopic approach to the theory of reflectivity

Langreth, David C.

Journal:

Physical Review B

Année:

1989

Langue:

english

Fichier:

PDF, 338 KB

english, 1989

23

Auger process in simple metals and their plasmon gain satellites

Shung, Kenneth Wen-Kai, Langreth, David C.

Journal:

Physical Review B

Année:

1983

Langue:

english

Fichier:

PDF, 908 KB

english, 1983

24

Final-state effects in x-ray photoemission spectra

Shung, K. W. -K., Langreth, David C.

Journal:

Physical Review B

Année:

1986

Langue:

english

Fichier:

PDF, 693 KB

english, 1986

25

Derivation of a master equation for charge-transfer processes in atom-surface collisions

Langreth, David C., Nordlander, P.

Journal:

Physical Review B

Année:

1991

Langue:

english

Fichier:

PDF, 1.09 MB

english, 1991

26

Theoretical description of quasiresonant charge exchange in atom-surface collisions

Shao, Hongxiao, Langreth, David C., Nordlander, Peter

Journal:

Physical Review B

Année:

1994

Langue:

english

Fichier:

PDF, 1.09 MB

english, 1994

27

Sum rule for metal surfaces

Langreth, David C.

Journal:

Physical Review B

Année:

1975

Langue:

english

Fichier:

PDF, 672 KB

english, 1975

28

Electronic damping of adsorbate fundamental and overtone vibrations at metal surfaces

Zhang, Z. Y., Langreth, David C.

Journal:

Physical Review B

Année:

1989

Langue:

english

Fichier:

PDF, 936 KB

english, 1989

29

Beyond the random-phase approximation in nonlocal-density-functional theory

Hu, C. D., Langreth, David C.

Journal:

Physical Review B

Année:

1986

Langue:

english

Fichier:

PDF, 1.25 MB

english, 1986

30

Enhancing Gas Adsorption and Separation Capacity through Ligand Functionalization of Microporous Metal–Organic Framework Structures

Dr. Yonggang Zhao, Haohan Wu, Dr. Thomas J. Emge, Qihan Gong, Nour Nijem, Prof. Dr. Yves J. Chabal, Dr. Lingzhu Kong, Prof. Dr. David C. Langreth, Hui Liu, Prof. Dr. Heping Zeng, Prof. Dr. Jing Li

Journal:

Chemistry - A European Journal

Année:

2011

Langue:

english

Fichier:

PDF, 483 KB

english, 2011

31

Predicting CH/π Interactions with Nonlocal Density Functional Theory

Joe Hooper, Valentino R. Cooper, Timo Thonhauser, Nichols A. Romero, Frank Zerilli, David C. Langreth

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 251 KB

english, 2008

32

Predicting CH/π Interactions with Nonlocal Density Functional Theory

Joe Hooper, Valentino R. Cooper, Timo Thonhauser, Nichols A. Romero, Frank Zerilli, David C. Langreth

Journal:

Année:

2008

Fichier:

PDF, 82 KB

2008

33

Density functionals and van der Waals interactions at surfaces

Bengt I. Lundqvist, Erika Hult, Henrik Rydberg, Alexander Bogicevic, Johan Strömquist, David C. Langreth

Journal:

Progress in Surface Science

Année:

1998

Langue:

english

Fichier:

PDF, 1.84 MB

english, 1998

34

Small and large wave-vector behavior for the structure factor of an interacting non-uniform electron gas: A reply

David C. Langreth, John P. Perdew

Journal:

Physics Letters A

Année:

1982

Langue:

english

Fichier:

PDF, 349 KB

english, 1982

35

A van der Waals density functional study of adenine on graphene: single-molecular adsorption and overlayer binding

Berland, Kristian, Chakarova-Käck, Svetla D, Cooper, Valentino R, Langreth, David C, Schröder, Elsebeth

Journal:

Journal of Physics Condensed Matter

Année:

2011

Langue:

english

Fichier:

PDF, 581 KB

english, 2011

36

Understanding the Preferential Adsorption of CO2 over N2 in a Flexible Metal–Organic Framework

Nijem, Nour, Thissen, Peter, Yao, Yanpeng, Longo, Roberto C., Roodenko, Katy, Wu, Haohan, Zhao, Yonggang, Cho, Kyeongjae, Li, Jing, Langreth, David C.

Journal:

Journal of the American Chemical Society

Année:

2011

Langue:

english

Fichier:

PDF, 4.30 MB

english, 2011

37

Structure of Binary Liquid Mixtures. II. Resistivity of Alloys and the Ion-Ion Interaction

Ashcroft, N., Langreth, David

Journal:

Physical Review (Series I)

Année:

1967

Langue:

english

Fichier:

PDF, 1.37 MB

english, 1967

38

Structure of Binary Liquid Mixtures. I

Ashcroft, N., Langreth, David

Journal:

Physical Review (Series I)

Année:

1967

Langue:

english

Fichier:

PDF, 678 KB

english, 1967

39

Intra-atomic correlation effects in charge transfer

Peter Nordlander, Hongxiao Shao, David C. Langreth

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Année:

1993

Langue:

english

Fichier:

PDF, 903 KB

english, 1993

40

Non-adiabatic effects in charge transfer caused by electron correlation

Hongxiao Shao, Peter Nordlander, David C. Langreth

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Année:

1995

Langue:

english

Fichier:

PDF, 727 KB

english, 1995

41

First-principles approach to rotational-vibrational frequencies and infrared intensity for H_{2} adsorbed in nanoporous materials

Kong, Lingzhu, Chabal, Yves, Langreth, David

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 211 KB

english, 2011

42

Energy transfer between open-shell species and metal surfaces

M. Plihal, David C. Langreth

Journal:

Surface Science

Année:

1998

Langue:

english

Fichier:

PDF, 329 KB

english, 1998

43

Multielectron effects in the interaction of F− ions with Ag(110)

S Ustaze, L Guillemot, V.A Esaulov, P Nordlander, David C Langreth

Journal:

Surface Science

Année:

1998

Langue:

english

Fichier:

PDF, 136 KB

english, 1998

44

Image state mediated electron transfer at surfaces

Shiwu Gao, David C. Langreth

Journal:

Surface Science

Année:

1998

Langue:

english

Fichier:

PDF, 532 KB

english, 1998

45

Density Functional for van der Waals Forces at Surfaces

Hult, Erika, Andersson, Ylva, Lundqvist, Bengt I., Langreth, David C.

Journal:

Physical Review Letters

Année:

1996

Langue:

english

Fichier:

PDF, 114 KB

english, 1996

46

Kondo effect in coupled quantum dots: A noncrossing approximation study

Aguado, Ramón, Langreth, David C.

Journal:

Physical Review B

Année:

2003

Langue:

english

Fichier:

PDF, 322 KB

english, 2003

47

Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

Thonhauser, T., Cooper, Valentino R., Li, Shen, Puzder, Aaron, Hyldgaard, Per, Langreth, David C.

Journal:

Physical Review B

Année:

2007

Langue:

english

Fichier:

PDF, 298 KB

english, 2007

48

A Density Functional Theory Study of the Benzene−Water Complex

Li, Shen, Cooper, Valentino R., Thonhauser, T., Puzder, Aaron, Langreth, David C.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2008

49

Application of van der Waals Density Functional to an Extended System: Adsorption of Benzene and Naphthalene on Graphite

Chakarova-Käck, Svetla D., Schröder, Elsebeth, Lundqvist, Bengt I., Langreth, David C.

Journal:

Physical Review Letters

Année:

2006

Langue:

english

Fichier:

PDF, 200 KB

english, 2006

50

Stacking Interactions and DNA Intercalation

Li, Shen, Cooper, Valentino R., Thonhauser, T., Lundqvist, Bengt I., Langreth, David C.

Journal:

Journal of Physical Chemistry B

Année:

2009

Langue:

english

Fichier:

PDF, 2.91 MB

english, 2009