Ab initio-based double many-body expansion potential energy surface for the first excited triplet state of the ammonia molecule

Y. Q. Li; Y. Z. Song; P. Song; Y. Z. Li; Y. Ding; M. T. Sun; F. C. Ma

doi:10.1063/1.4718705

Ab initio-based double many-body expansion potential energy surface for the first excited triplet state of the ammonia molecule

The Journal of Chemical Physics ◽

10.1063/1.4718705 ◽

2012 ◽

Vol 136 (19) ◽

pp. 194705 ◽

Cited By ~ 21

Author(s):

Y. Q. Li ◽

Y. Z. Song ◽

P. Song ◽

Y. Z. Li ◽

Y. Ding ◽

...

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Triplet State ◽

Ab Initio ◽

Energy Surface ◽

Ammonia Molecule ◽

Excited Triplet State ◽

Many Body ◽

Excited Triplet

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Time-resolved resonance Raman spectroscopy of 1,3,5-hexatrienes in the lowest excited triplet state. The potential energy surface in T1

Journal of Molecular Structure ◽

10.1016/0022-2860(90)80358-q ◽

1990 ◽

Vol 217 ◽

pp. 151-160 ◽

Cited By ~ 4

Author(s):

R. Wilbrandt ◽

F.W. Langkilde ◽

A.M. Brouwer ◽

F. Negri ◽

G. Orlandi

Keyword(s):

Raman Spectroscopy ◽

Potential Energy ◽

Potential Energy Surface ◽

Triplet State ◽

Energy Surface ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Excited Triplet State ◽

Time Resolved ◽

Excited Triplet

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Ab-Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the Electronic Ground State of the Ammonia Molecule

The Journal of Physical Chemistry A ◽

10.1021/jp1019685 ◽

2010 ◽

Vol 114 (24) ◽

pp. 6669-6680 ◽

Cited By ~ 17

Author(s):

Y. Q. Li ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Ground State ◽

Energy Surface ◽

Electronic Ground State ◽

Ammonia Molecule ◽

Many Body ◽

Electronic Ground

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ChemInform Abstract: Time-Resolved Resonance Raman Spectroscopy of 1,3,5-Hexatrienes in the Lowest Excited Triplet State. The Potential Energy Surface in T1.

ChemInform ◽

10.1002/chin.199022039 ◽

1990 ◽

Vol 21 (22) ◽

Author(s):

R. WILBRANDT ◽

F. W. LANGKILDE ◽

A. M. BROUWER ◽

F. NEGRI ◽

G. ORLANDI

Keyword(s):

Raman Spectroscopy ◽

Potential Energy ◽

Potential Energy Surface ◽

Triplet State ◽

Energy Surface ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Excited Triplet State ◽

Time Resolved ◽

Excited Triplet

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Repulsive double many-body expansion potential energy surface for the reactions N(4S)+ H2⇌ NH(X3Σ–)+ H from accurate ab initio calculations

Physical Chemistry Chemical Physics ◽

10.1039/b505590c ◽

2005 ◽

Vol 7 (15) ◽

pp. 2867 ◽

Cited By ~ 33

Author(s):

L. A. Poveda ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Many Body

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A realistic double many-body expansion potential energy surface for from a multiproperty fit to accurate ab initio energies and vibrational levels

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(01)00661-8 ◽

2002 ◽

Vol 58 (4) ◽

pp. 629-647 ◽

Cited By ~ 26

Author(s):

A.J.C. Varandas ◽

S.P.J. Rodrigues

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Many Body ◽

Vibrational Levels

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New Double Many-Body Expansion Potential Energy Surface for Ground-State HCN from a Multiproperty Fit to Accurate ab Initio Energies and Rovibrational Calculations†

The Journal of Physical Chemistry A ◽

10.1021/jp051434p ◽

2006 ◽

Vol 110 (2) ◽

pp. 485-493 ◽

Cited By ~ 30

Author(s):

A. J. C. Varandas ◽

S. P. J. Rodrigues

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Ground State ◽

Energy Surface ◽

Many Body

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Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit

The Journal of Chemical Physics ◽

10.1063/1.3103268 ◽

2009 ◽

Vol 130 (13) ◽

pp. 134317 ◽

Cited By ~ 39

Author(s):

Y. Z. Song ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Ground State ◽

Energy Surface ◽

Basis Set ◽

Many Body ◽

Complete Basis ◽

Complete Basis Set ◽

Complete Basis Set Limit

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Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C3 radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactions

The Journal of Chemical Physics ◽

10.1063/1.4928434 ◽

2015 ◽

Vol 143 (7) ◽

pp. 074302 ◽

Cited By ~ 17

Author(s):

C. M. R. Rocha ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Ground State ◽

Energy Surface ◽

Many Body ◽

Jahn Teller

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Accurate Double Many-Body Expansion Potential Energy Surface for Ground-State HS2Based on ab Initio Data Extrapolated to the Complete Basis Set Limit

The Journal of Physical Chemistry A ◽

10.1021/jp201980m ◽

2011 ◽

Vol 115 (21) ◽

pp. 5274-5283 ◽

Cited By ~ 23

Author(s):

Y. Z. Song ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Ground State ◽

Energy Surface ◽

Basis Set ◽

Many Body ◽

Complete Basis ◽

Complete Basis Set ◽

Complete Basis Set Limit

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Accurate ab initio-based double many-body expansion adiabatic potential energy surface for the 22 A′ state of NH2 by extrapolation to the complete basis set limit

International Journal of Quantum Chemistry ◽

10.1002/qua.24113 ◽

2012 ◽

Vol 112 (17) ◽

pp. 2932-2939 ◽

Cited By ~ 8

Author(s):

Yong Q. Li ◽

António J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Adiabatic Potential ◽

Basis Set ◽

Many Body ◽

Complete Basis Set ◽

Adiabatic Potential Energy Surface ◽

Complete Basis Set Limit

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