Tucker Carrington Jr. : rechercher sur Z-Library

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1

A direct-operation Lanczos approach for calculating energy levels

Pierre-Nicholas Roy, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 500 KB

english, 1996

2

Using a neural network based method to solve the vibrational Schrödinger equation for H2O

Sergei Manzhos, Koichi Yamashita, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 417 KB

english, 2009

3

K -independent vibrational bases for systems with large amplitude motion

Wang, Xiao-Gang, Carrington Jr, Tucker

Journal:

Molecular Physics

Année:

2012

Langue:

english

Fichier:

PDF, 228 KB

english, 2012

4

Fermi resonance in CHX3: a hamiltonian in symmetrized curvilinear internal coordinates

Tucker Carrington Jr., Lauri Halonen, Martin Quack

Journal:

Chemical Physics Letters

Année:

1987

Langue:

english

Fichier:

PDF, 685 KB

english, 1987

5

Vibrational effects on cross sections for elastic scattering of X-rays and fast electrons by H2O molecules

Ruth E. Hoffmeyer, Ajit J. Thakkar, Hua Wei, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

1993

Langue:

english

Fichier:

PDF, 564 KB

english, 1993

6

Vibrational energy levels of formaldehyde calculated from an internal coordinate hamiltonian using the Lanczos algorithm

André McNichols, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

1993

Langue:

english

Fichier:

PDF, 645 KB

english, 1993

7

A time-to-energy Fourier resolution method for calculating bound state energies and wavefunctions. Analysis of the method and application to 2D ArHCl

Yeu Wang, Tucker Carrington Jr., Gregory C. Corey

Journal:

Chemical Physics Letters

Année:

1994

Langue:

english

Fichier:

PDF, 887 KB

english, 1994

8

Vibronic coupling in square planar complexes of palladium(II) and platinum(II)

Etienne Lanthier, Christian Reber, Tucker Carrington Jr.

Journal:

Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 276 KB

english, 2006

9

Fitting sparse multidimensional data with low-dimensional terms

Sergei Manzhos, Koichi Yamashita, Tucker Carrington Jr.

Journal:

Computer Physics Communications

Année:

2009

Langue:

english

Fichier:

PDF, 716 KB

english, 2009

10

Parallel methods for high-dimensional quantum dynamics

Xiao-Gang Wang, Tucker Carrington Jr.

Journal:

Computer Physics Communications

Année:

2010

Langue:

english

Fichier:

PDF, 185 KB

english, 2010

11

Solving the time-dependent Schroedinger equation by discarding high-energy basis functions

Mike McLeod, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

2010

Langue:

english

Fichier:

PDF, 241 KB

english, 2010

12

Calculating anharmonic vibrational frequencies of molecules adsorbed on surfaces directly from ab initio energies with a molecule-independent method: H2O on Pt(111)

Sergei Manzhos, Tucker Carrington Jr., Koichi Yamashita

Journal:

Surface Science

Année:

2011

Langue:

english

Fichier:

PDF, 387 KB

english, 2011

13

A simple equation including anharmonic effects for the vibrational polarisability of a diatomic molecule

Dominic Richer, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 68 KB

english, 2001

14

Calculation of reaction probabilities using wavepackets

Steven M. Miller, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 342 KB

english, 1997

15

An exact Eckart-embedded kinetic energy operator in Radau coordinates for triatomic molecules

Hua Wei, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 113 KB

english, 1998

16

Vibrational polarizabilities of Na3 computed from density functional theory property surfaces and a variational vibrational calculation

Sébastien Lefebvre, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 80 KB

english, 1998

17

Rate constants in quantum mechanical systems: A rigorous and practical path-integral formulation for computer simulations

Nilmadhab Chakrabarti, Tucker Carrington Jr, Benoı̂t Roux

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 167 KB

english, 1998

18

Calculating interior eigenvalues and eigenvectors with an implicitly restarted and a filter diagonalization method

Shi-Wei Huang, Tucker Carrington Jr.

Journal:

Applied Numerical Mathematics

Année:

2001

Langue:

english

Fichier:

PDF, 109 KB

english, 2001

19

Uncoupled effective Hamiltonians for molecules with several vibrational modes coupled by Coriolis and centrifugal terms

Mangala S. Krishnan, Tucker Carrington Jr.

Journal:

Chemical Physics

Année:

1997

Langue:

english

Fichier:

PDF, 854 KB

english, 1997

20

A direct-operation time-dependent method for calculating absorption spectra involving multiple electronic states and its application to trans-OsO2(oxalate)22−

Benoit Cromp, Myriam Triest, Tucker Carrington Jr, Christian Reber

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

1999

Langue:

english

Fichier:

PDF, 150 KB

english, 1999

21

Using simply contracted basis functions with the Lanczos algorithm to calculate vibrational spectra

Xiao-Gang Wang, Tucker Carrington Jr.

Journal:

International Journal of Quantum Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 126 KB

english, 2004

22

A new approach for determining the time step when propagating with the Lanczos algorithm

N. Mohankumar, Tucker Carrington Jr.

Journal:

Computer Physics Communications

Année:

2010

Langue:

english

Fichier:

PDF, 133 KB

english, 2010

23

A comparison of filter diagonalisation methods with the Lanczos method for calculating vibrational energy levels

Shi-Wei Huang, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 86 KB

english, 1999

24

Computing ro-vibrational spectra of van der Waals molecules

Tucker Carrington Jr., Xiao-Gang Wang

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2011

Langue:

english

Fichier:

PDF, 284 KB

english, 2011

25

On the advantages of a rectangular matrix collocation equation for computing vibrational spectra from small basis sets

Sergei Manzhos, Koichi Yamashita, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 392 KB

english, 2011

26

Computing polarizabilities without a Hamiltonian matrix

Alexander Wlotzka, Tucker Carrington Jr.

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 175 KB

english, 2012

27

The vibration–rotation–tunneling spectrum of the polar and T-shaped-N-in isomers of (NNO)2

Xiao-Gang Wang, Tucker Carrington Jr., Richard Dawes, Ahren W. Jasper

Journal:

Journal of Molecular Spectroscopy

Année:

2011

Langue:

english

Fichier:

PDF, 841 KB

english, 2011

28

Investigation of fermi resonances in CHX3 molecules with an internal-coordinate hamiltonian

Halonen, Lauri, Jr, Tucker Carrington, Quack, Martin

Journal:

Journal of the Chemical Society Faraday Transactions 2

Année:

1988

Langue:

english

Fichier:

PDF, 1.22 MB

english, 1988

29

AIP Conference Proceedings [AIP INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009) - Rhodes, Greece (29 September–4 October 2009)] - Rovibrational spectra of molecules in small helium clusters

Wang, Xiao-Gang, Carrington Jr., Tucker

Année:

2012

Langue:

english

Fichier:

PDF, 743 KB

english, 2012

30

Redundant Coordinates in Quantum Mechanics

Toombs, Eric, Carrington Jr., Tucker

Journal:

Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 520 KB

english, 2018