Three-dimensional discrete variable representation for accurate Van der Waals vibrational states of complexes between atoms and large molecules, including fullerenes

Faraday Discussions ◽

10.1039/fd9949700265 ◽

1994 ◽

Vol 97 ◽

pp. 265-283 ◽

Cited By ~ 4

Author(s):

Margaret Mandziuk ◽

Zlatko Bačić

Keyword(s):

Van Der Waals ◽

Three Dimensional ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Vibrational States ◽

Large Molecules ◽

Variable Representation

Download Full-text

van der Waals vibrational states of atom–large molecule complexes by a 3D discrete variable representation method: Naphthalene⋅Ar

The Journal of Chemical Physics ◽

10.1063/1.464734 ◽

1993 ◽

Vol 98 (9) ◽

pp. 7165-7178 ◽

Cited By ~ 54

Author(s):

Margaret Mandziuk ◽

Zlatko Bačić

Keyword(s):

Van Der Waals ◽

Large Molecule ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Vibrational States ◽

Representation Method ◽

Variable Representation

Download Full-text

Determination of the bound and quasibound states of Ar–HCl van der Waals complex: Discrete variable representation method

The Journal of Chemical Physics ◽

10.1063/1.458004 ◽

1990 ◽

Vol 92 (4) ◽

pp. 2129-2145 ◽

Cited By ~ 164

Author(s):

Seung E. Choi ◽

J. C. Light

Keyword(s):

Van Der Waals ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Van Der Waals Complex ◽

Representation Method ◽

Variable Representation

Download Full-text

Dimension of discrete variable representation for mixed quantum/classical computation of three lowest vibrational states of OH stretching in liquid water

The Journal of Chemical Physics ◽

10.1063/1.4974934 ◽

2017 ◽

Vol 146 (5) ◽

pp. 054107 ◽

Cited By ~ 4

Author(s):

Kiyoung Jeon ◽

Mino Yang

Keyword(s):

Liquid Water ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Vibrational States ◽

Variable Representation

Download Full-text

Understanding tunneling in weakly bound complexes through the utilizaton of three-dimensional discrete variable representation

10.1021/scimeetings.0c04309 ◽

2020 ◽

Author(s):

Helen Oi-Lun Leung ◽

Ezra Arumi Alexander ◽

Mark D. Marshall

Keyword(s):

Three Dimensional ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Weakly Bound ◽

Weakly Bound Complexes ◽

Variable Representation

Download Full-text

Understanding tunneling in weakly bound complexes through the utilizaton of three-dimensional discrete variable representation

10.1021/scimeetings.0c04193 ◽

2020 ◽

Author(s):

Helen Oi-Lun Leung ◽

Ezra Arumi Alexander ◽

Mark David Marshall

Keyword(s):

Three Dimensional ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Weakly Bound ◽

Weakly Bound Complexes ◽

Variable Representation

Download Full-text

Optical potential discrete variable representation method applied to the three-dimensional calculations of NeICl predissociation resonances

Chemical Physics ◽

10.1016/0301-0104(96)00256-x ◽

1996 ◽

Vol 211 (1-3) ◽

pp. 249-264 ◽

Cited By ~ 2

Author(s):

M. Monnerville ◽

J.-M. Robbe

Keyword(s):

Optical Potential ◽

Three Dimensional ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Representation Method ◽

Variable Representation

Download Full-text

Very highly excited vibrational states of LiCN using a discrete variable representation

Molecular Physics ◽

10.1080/00268979000100471 ◽

1990 ◽

Vol 69 (4) ◽

pp. 639-648 ◽

Cited By ~ 20

Author(s):

James R. Henderson ◽

Jonathan Tennyson

Keyword(s):

Discrete Variable ◽

Discrete Variable Representation ◽

Vibrational States ◽

Highly Excited Vibrational States ◽

Variable Representation

Download Full-text

Lower vibrational states of SO2. Density functional and discrete variable representation approach

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(03)00127-1 ◽

2003 ◽

Vol 629 (1-3) ◽

pp. 61-70 ◽

Cited By ~ 1

Author(s):

Sławomir Zelek ◽

Lech Cyrnek ◽

Jan Wasilewski

Keyword(s):

Density Functional ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Vibrational States ◽

Variable Representation

Download Full-text

Resonances of triatomic van der Waals molecules by the complex discrete variable representation

Theoretica Chimica Acta ◽

10.1007/bf01113129 ◽

1992 ◽

Vol 82 (1-2) ◽

pp. 47-56 ◽

Cited By ~ 5

Author(s):

Nurit Lipkin ◽

Nimrod Moiseyev ◽

Phillip R. Certain

Keyword(s):

Van Der Waals ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Van Der Waals Molecules ◽

Variable Representation

Download Full-text

Three‐dimensional study of predissociation resonances by the complex scaled discrete variable representation method: HCO/DCO

The Journal of Chemical Physics ◽

10.1063/1.469592 ◽

1995 ◽

Vol 103 (10) ◽

pp. 4061-4068 ◽

Cited By ~ 34

Author(s):

Victor Ryaboy ◽

Nimrod Moiseyev

Keyword(s):

Three Dimensional ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Representation Method ◽

Variable Representation

Download Full-text