Full-dimensional quantum calculations of the ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential snergy surface

Y Yang; B.J Braams; J.M Bowman; S Carter; D.P Tew

doi:10.1063/1.2937732

Full-dimensional quantum calculations of the ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential snergy surface

Y Yang, B.J Braams, J.M Bowman, S Carter, D.P Tew

Research output: Contribution to journal › Article (Academic Journal) › peer-review

129 Citations (Scopus)

Translated title of the contribution	Full Dimensional Quantum Calculations of the Ground State Tunneling Splitting of Malonaldehyde Using an Accurate ab initio Potential Energy Surface
Original language	English
Pages (from-to)	224314 - 224319
Number of pages	6
Journal	Journal of Chemical Physics
Volume	128
Issue number	22
DOIs	https://doi.org/10.1063/1.2937732
Publication status	Published - Jun 2008

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10.1063/1.2937732

http://jcp.aip.org/resource/1/jcpsa6/v128/i22/p224314_s1

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title = "Full-dimensional quantum calculations of the ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential snergy surface",

author = "Y Yang and B.J Braams and J.M Bowman and S Carter and D.P Tew",

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Full-dimensional quantum calculations of the ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential snergy surface. / Yang, Y; Braams, B.J; Bowman, J.M; Carter, S; Tew, D.P.

In: Journal of Chemical Physics, Vol. 128, No. 22, 06.2008, p. 224314 - 224319.

Research output: Contribution to journal › Article (Academic Journal) › peer-review

TY - JOUR

T1 - Full-dimensional quantum calculations of the ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential snergy surface

AU - Yang, Y

AU - Braams, B.J

AU - Bowman, J.M

AU - Carter, S

AU - Tew, D.P

PY - 2008/6

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U2 - 10.1063/1.2937732

DO - 10.1063/1.2937732

M3 - Article (Academic Journal)

C2 - 18554020

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SP - 224314

EP - 224319

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 22

ER -

Full-dimensional quantum calculations of the ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential snergy surface

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