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1

Weak intermolecular interactions calculated with diffusion Monte Carlo

Diedrich, Christian, Lüchow, Arne, Grimme, Stefan

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 355 KB

english, 2005

2

Isomerization of Bicyclo[1.1.0]butane by Means of the Diffusion Quantum Monte Carlo Method

Berner, Raphael, Lüchow, Arne

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 804 KB

english, 2010

3

On the systematic improvement of fixed-node diffusion quantum Monte Carlo energies using pair natural orbital CI guide functions

Lüchow, Arne, Fink, Reinhold F.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 305 KB

english, 2000

4

Energetics of carbon clusters C[sub 8] and C[sub 10] from all-electron quantum Monte Carlo calculations

Shlyakhter, Yuri, Sokolova, Svetlana, Lüchow, Arne, Anderson, James B.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 311 KB

english, 1999

5

On the accuracy of the fixed-node diffusion quantum Monte Carlo method

Manten, Sebastian, Lüchow, Arne

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 291 KB

english, 2001

6

Accurate upper and lower bounds for some excited S states of the He atom

Heinz Kleindienst, Arne Lu¨chow, Hans-Peter Merckens

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 255 KB

english, 1994

7

Rydberg states with quantum Monte Carlo

Bande, Annika, Lüchow, Arne, Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 252 KB

english, 2006

8

Performance of diffusion Monte Carlo for the first dissociation energies of transition metal carbonyls

Diedrich, Christian, Lüchow, Arne, Grimme, Stefan

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 320 KB

english, 2005

9

First-row hydrides: Dissociation and ground state energies using quantum Monte Carlo

Lüchow, Arne, Anderson, James B.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 330 KB

english, 1996

10

Linear scaling for the local energy in quantum Monte Carlo

Manten, Sebastian, Lüchow, Arne

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 301 KB

english, 2003

11

Improved estimates of the total correlation energy in the ground state of the water molecule

Lüchow, Arne, Anderson, James B., Feller, David

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 287 KB

english, 1997

12

Accurate quantum Monte Carlo calculations for hydrogen fluoride and the fluorine atom

Lüchow, Arne, Anderson, James B.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 333 KB

english, 1996

13

Direct optimization of nodal hypersurfaces in approximate wave functions

Lüchow, Arne, Petz, René, Scott, Tony C.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 104 KB

english, 2007

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