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1

Correct Description of the Bond Dissociation Limit without Breaking Spin Symmetry by a Random-Phase-Approximation Correlation Functional

Heßelmann, Andreas, Görling, Andreas

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 158 KB

english, 2011

2

Intermolecular symmetry-adapted perturbation theory study of large organic complexes

Heßelmann, Andreas, Korona, Tatiana

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 684 KB

english, 2014

3

Intramolecular interactions in sterically crowded hydrocarbon molecules

Meitei, Oinam Romesh, Heßelmann, Andreas

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 568 KB

english, 2017

4

Intermolecular dispersion energies from coupled exact-exchange Kohn-Sham excitation energies and vectors

Heßelmann, Andreas, Meitei, Oinam Romesh

Journal:

Computational and Theoretical Chemistry

Year:

2018

Language:

english

File:

PDF, 1.22 MB

english, 2018

5

Static and Frequency-Dependent Dipole–Dipole Polarizabilities of All Closed-Shell Atoms up to Radium: A Four-Component Relativistic DFT Study

Radovan Bast, Andreas Heßelmann, Paweł Sałek, Trygve Helgaker, Trond Saue

Journal:

Year:

2008

Language:

english

File:

PDF, 310 KB

english, 2008

6

Comparison between optimized effective potential and Kohn–Sham methods

Andreas Heßelmann, Andreas Görling

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 440 KB

english, 2008

7

First-order intermolecular interaction energies from Kohn–Sham orbitals

Andreas Heßelmann, Georg Jansen

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 978 KB

english, 2002

8

Intermolecular induction and exchange-induction energies from coupled-perturbed Kohn–Sham density functional theory

Andreas Heßelmann, Georg Jansen

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

9

Intermolecular dispersion energies from time-dependent density functional theory

Andreas Heßelmann, Georg Jansen

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 121 KB

english, 2003

10

Molecular excitation spectra by TDDFT with the nonadiabatic exact exchange kernel

Andrey Ipatov, Andreas Heßelmann, Andreas Görling

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 225 KB

english, 2010

11

The role of orbital transformations in coupled-pair functionals

Christian Kollmar, Andreas Heßelmann

Journal:

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

Year:

2010

Language:

english

File:

PDF, 390 KB

english, 2010

12

Molecular properties from coupled-cluster Brueckner orbitals

Andreas Heßelmann, Georg Jansen

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 203 KB

english, 1999

13

Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation

Bleiziffer, Patrick, Heßelmann, Andreas, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 835 KB

english, 2012

14

Assessment of a Nonlocal Correction Scheme to Semilocal Density Functional Theory Methods

Heßelmann, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 422 KB

english, 2013

15

Charge-transfer excitation energies with a time-dependent density-functional method suitable for orbital-dependent exchange-correlation kernels

Heßelmann, Andreas, Ipatov, Andrey, Görling, Andreas

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 139 KB

english, 2009

16

Directional Noncovalent Interactions: Repulsion and Dispersion

El Kerdawy, Ahmed, Murray, Jane S., Politzer, Peter, Bleiziffer, Patrick, Heßelmann, Andreas, Görling, Andreas, Clark, Timothy

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 2.05 MB

english, 2013

17

Hyperfine coupling constants of the nitrogen and phosphorus atoms: A challenge for exact-exchange density-functional and post-Hartree–Fock methods

Kaupp, Martin, Arbuznikov, Alexei V., Heßelmann, Andreas, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.07 MB

english, 2010

18

Efficient self-consistent treatment of electron correlation within the random phase approximation

Bleiziffer, Patrick, Heßelmann, Andreas, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 960 KB

english, 2013

19

On the Short-Range Behavior of Correlated Pair Functions from the Adiabatic-Connection Fluctuation–Dissipation Theorem of Density-Functional Theory

Heßelmann, Andreas, Görling, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 269 KB

english, 2013

20

Random-phase-approximation correlation method including exchange interactions

Heßelmann, Andreas

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 424 KB

english, 2012

21

Influence of the exchange-correlation potential in methods based on time-dependent density-functional theory

Bleiziffer, P., Heßelmann, A., Umrigar, C. J., Görling, Andreas

Journal:

Physical Review A

Year:

2013

Language:

english

File:

PDF, 259 KB

english, 2013

22

Qualitatively Correct Charge-Transfer Excitation Energies in HeH + by Time-Dependent Density-Functional Theory Due to Exact Exchange Kohn−Sham Eigenvalue Differences

Gimon, Tino, Ipatov, Andrey, Heßelmann, Andreas, Görling, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 211 KB

english, 2009

23

Accurate Intermolecular Interaction Energies from a Combination of MP2 and TDDFT Response Theory

Pitoňák, Michal, Heßelmann, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 1.10 MB

english, 2010

24

Improved supermolecular second order Mo̸ller–Plesset intermolecular interaction energies using time-dependent density functional response theory

Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.03 MB

english, 2008

25

Blindness of the Exact Density Response Function to Certain Types of Electronic Excitations: Implications for Time-Dependent Density-Functional Theory

Heßelmann, Andreas, Görling, Andreas

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 107 KB

english, 2009

26

Random phase approximation correlation energies with exact Kohn–Sham exchange

Heßelmann, Andreas, Görling, Andreas

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 358 KB

english, 2010

27

Numerically stable optimized effective potential method with balanced Gaussian basis sets

Heßelmann, Andreas, Götz, Andreas W., Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.50 MB

english, 2007

28

First-order intermolecular interaction energies from coupled-cluster Brueckner orbitals

Heßelmann, Andreas, Jansen, Georg

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 275 KB

english, 2000

29

Relation between exchange-only optimized potential and Kohn–Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions

Görling, Andreas, Heßelmann, Andreas, Jones, Martin, Levy, Mel

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 724 KB

english, 2008

30

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange

Heßelmann, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 940 KB

english, 2015

31

Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods

Görling, Andreas, Ipatov, Andrey, Götz, Andreas W., Heßelmann, Andreas

Journal:

Zeitschrift für Physikalische Chemie

Year:

2010

Language:

english

File:

PDF, 926 KB

english, 2010

32

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree–Fock

Heßelmann, Andreas, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 621 KB

english, 2011

33

Derivation of the dispersion energy as an explicit density- and exchange-hole functional

Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 98 KB

english, 2009

34

Third-order corrections to random-phase approximation correlation energies

Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 439 KB

english, 2011

35

Long-range correlation energies from frequency-dependent weighted exchange-hole dipole polarisabilities

Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 760 KB

english, 2012

36

Polarisabilities of long conjugated chain molecules with density functional response methods: The role of coupled and uncoupled response

Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 913 KB

english, 2015

37

Back Cover: On the Stability of Cyclophane Derivates Using a Molecular Fragmentation Method (ChemPhysChem 23/2016)

Meitei, Oinam Romesh, Heßelmann, Andreas

Journal:

Year:

2016

File:

PDF, 2.56 MB

2016

38

Trifluoromethyl: An Amphiphilic Noncovalent Bonding Partner

Esterhuysen, Catharine, Heßelmann, Andreas, Clark, Timothy

Journal:

Year:

2017

Language:

english

File:

PDF, 1.40 MB

english, 2017

39

Low scaling random-phase approximation electron correlation method including exchange interactions using localised orbitals

Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 4.58 MB

english, 2017

40

Molecular energies from an incremental fragmentation method

Meitei, Oinam Romesh, Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.52 MB

english, 2016

41

Ionization energies and electron affinities from a random-phase-approximation many-body Green's-function method including exchange interactions

Heßelmann, Andreas

Journal:

Physical Review A

Year:

2017

Language:

english

File:

PDF, 1.78 MB

english, 2017

42

Geometry optimisations with a nonlocal density-functional theory method based on a double Hirshfeld partitioning

Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 873 KB

english, 2018

43

The Coulombic σ-hole model describes bonding in CX3I…Y complexes completely

Clark, Tim, Heßelmann, Andreas

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 880 KB

english, 2018

44

Correlation effects and many-body interactions in water clusters

Heßelmann, Andreas

Journal:

Beilstein Journal of Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 2.53 MB

english, 2018

45

Non-Covalent Interactions in Quantum Chemistry and Physics || Intermolecular Interaction Energies from Kohn–Sham Random Phase Approximation Correlation Methods

Heßelmann, Andreas

Year:

2017

Language:

english

File:

PDF, 2.35 MB

english, 2017

46

Geometry optimizations with the incremental molecular fragmentation method

Meitei, Oinam Romesh, Heßelmann, Andreas

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2018

Language:

english

File:

PDF, 1.79 MB

english, 2018

47

Assessment of a range-separated orbital-optimised random-phase approximation electron correlation method

Heßelmann, Andreas, Ángyán, János

Journal:

Theoretica Chimica Acta

Year:

2018

Language:

english

File:

PDF, 1.18 MB

english, 2018

48

Correction to: The Feynman dispersion correction for MNDO extended to F, Cl, Br and I

Kriebel, Maximilian, Heßelmann, Andreas, Hennemann, Matthias, Clark, Timothy

Journal:

Journal of Molecular Modeling

Year:

2019

Language:

english

File:

PDF, 1.30 MB

english, 2019

49

Correction to: The Feynman dispersion correction for MNDO extended to F, Cl, Br and I

Kriebel, Maximilian, Heßelmann, Andreas, Hennemann, Matthias, Clark, Timothy

Journal:

Journal of Molecular Modeling

Year:

2019

File:

PDF, 1.30 MB

2019

50

Intermolecular interaction energies from fourth order many-body perturbation theory. Impact of individual electron correlation contributions

Heßelmann, Andreas

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.52 MB

english, 2019

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