Global potential energy surfaces for the H3+ system. Analytical representation of the adiabatic ground-state 1 1A′ potential

The Journal of Chemical Physics ◽

10.1063/1.480539 ◽

2000 ◽

Vol 112 (3) ◽

pp. 1240-1254 ◽

Author(s):

Alfredo Aguado ◽

Octavio Roncero ◽

César Tablero ◽

Cristina Sanz ◽

Miguel Paniagua

Keyword(s):

Potential Energy ◽

Ground State ◽

Potential Energy Surfaces ◽

Analytical Representation ◽

Energy Surfaces ◽

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Effect of isotope on state-to-state dynamics for reactive collision reactions ${\rm{O}}{(}^{3}{\rm{P}})+{{\rm{H}}}_{2}^{+}\to {{\rm{OH}}}^{+}+{\rm{H}}$ and ${\rm{O}}{(}^{3}{\rm{P}})+{{\rm{H}}}_{2}^{+}\to {\rm{OH}}+{{\rm{H}}}^{+}$ in ground state 12A″ and first excited 12A′ potential energy surfaces

Chinese Physics B ◽

10.1088/1674-1056/ab6554 ◽

2020 ◽

Vol 29 (2) ◽

pp. 023105

Author(s):

Juan Zhao ◽

Ting Xu ◽

Lu-Lu Zhang ◽

Li-Fei Wang

Keyword(s):

Potential Energy ◽

Ground State ◽

Potential Energy Surfaces ◽

Energy Surfaces ◽

Reactive Collision

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NO3 full-dimensional potential energy surfaces and ground state vibrational levels revisited

Chemical Physics ◽

10.1016/j.chemphys.2018.01.003 ◽

2018 ◽

Vol 509 ◽

pp. 81-90 ◽

Author(s):

Alexandra Viel ◽

Wolfgang Eisfeld

Keyword(s):

Potential Energy ◽

Ground State ◽

Potential Energy Surfaces ◽

Vibrational Levels ◽

Energy Surfaces

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Ground state properties and potential energy surfaces of 270Hs from multidimensionally-constrained relativistic mean field model

Science China Physics Mechanics and Astronomy ◽

10.1007/s11433-019-9422-1 ◽

2019 ◽

Vol 63 (1) ◽

Author(s):

Xu Meng ◽

BingNan Lu ◽

ShanGui Zhou

Keyword(s):

Potential Energy ◽

Ground State ◽

Potential Energy Surfaces ◽

Field Model ◽

Mean Field Model ◽

Relativistic Mean Field ◽

Ground State Properties ◽

Energy Surfaces

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Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.0c00217 ◽

2020 ◽

Vol 16 (7) ◽

pp. 4256-4270 ◽

Author(s):

Xiaowei Xie ◽

Kristin A. Persson ◽

David W. Small

Keyword(s):

Machine Learning ◽

Potential Energy ◽

Ground State ◽

Potential Energy Surfaces ◽

Electronic Energy ◽

Learning Potential ◽

Electronic Information ◽

Energy Surfaces

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Triplet and ground state potential energy surfaces of 1,4-diphenyl-1,3-butadiene: theory and experiment

Photochemical & Photobiological Sciences ◽

10.1039/b801075g ◽

2008 ◽

Vol 7 (5) ◽

pp. 566 ◽

Author(s):

J. Saltiel ◽

O. Dmitrenko ◽

Z. S. Pillai ◽

R. Klima ◽

S. Wang ◽

...

Keyword(s):

Potential Energy ◽

Ground State ◽

Potential Energy Surfaces ◽

State Potential ◽

Energy Surfaces ◽

Theory And Experiment

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SCF ab-initio ground state potential energy surfaces for HCN and HCN−

Chemical Physics ◽

10.1016/0301-0104(78)87050-5 ◽

1978 ◽

Vol 32 (2) ◽

pp. 183-187 ◽

Author(s):

J. Pacansky ◽

N.S. Dalal ◽

P.S. Bagus

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Potential Energy Surfaces ◽

State Potential ◽

Energy Surfaces

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The helium–, neon–, and argon–cyclopropane van der Waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics

The Journal of Chemical Physics ◽

10.1063/1.1398102 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8431-8439 ◽

Author(s):

Thomas Bondo Pedersen ◽

Berta Fernández ◽

Henrik Koch ◽

Jan Makarewicz

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Intermolecular Potential ◽

Energy Surfaces ◽

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Potential energy surfaces for H + Li2 → LiH + Li ground state surface from large scale configuration interaction

The Journal of Chemical Physics ◽

10.1063/1.430985 ◽

1975 ◽

Vol 62 (9) ◽

pp. 3488 ◽

Author(s):

Per Siegbahn

Keyword(s):

Potential Energy ◽

Configuration Interaction ◽

Ground State ◽

Potential Energy Surfaces ◽

Large Scale ◽

Energy Surfaces

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Theoretical and experimental studies of the N2O−and N2O ground state potential energy surfaces. Implications for the O−+N2→N2O+eand other processes

The Journal of Chemical Physics ◽

10.1063/1.433006 ◽

1976 ◽

Vol 65 (12) ◽

pp. 5474-5494 ◽

Author(s):

Darrel G. Hopper ◽

Arnold C. Wahl ◽

Richard L. C. Wu ◽

Thomas O. Tiernan

Keyword(s):

Potential Energy ◽

Ground State ◽

Potential Energy Surfaces ◽

Experimental Studies ◽

State Potential ◽

Energy Surfaces

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Quasiclassical trajectory calculations of the thermal rate coefficient for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction on realistic double many-body expansion potential energy surfaces for ground-state hydroperoxy

The Journal of Physical Chemistry ◽

10.1021/j100326a059 ◽

1988 ◽

Vol 92 (15) ◽

pp. 4552-4555 ◽

Author(s):

L. A. M. Quintales ◽

A. J. C. Varandas ◽

J. M. Alvarino

Keyword(s):

Hydrogen Atom ◽

Oxygen Atom ◽

Potential Energy ◽

Ground State ◽

Potential Energy Surfaces ◽

Rate Coefficient ◽

Many Body ◽

Trajectory Calculations ◽

Energy Surfaces

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