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Phase space barriers and dividing surfaces in the absence of critical points of the potential energy
Phase space dividing surfaces critical points the potential energy
2010/11/12
We consider the existence of invariant manifolds in phase space governing reaction dynamics in situations where there are no saddle points on the potential energy surface in the relevant regions of co...
Accurate Analytic Potential Energy Function and Spectroscopic Study for G1Πg State of Dimer 7Li2
vibrational frequency dissociation energy
Li2 ab
initio calculations
2007/8/15
2007Vol.47No.6pp.1114-1120DOI:
Accurate Analytic Potential Energy Function and Spectroscopic Study for G1Πg State of Dimer 7Li2
SHI De-Heng,1,2 MA Heng,2 SUN Jin-Feng,2 and ZHU ...
Potential Energy Surface of Cytosine and Tunneling Between
Its Normal and Trans-imino Tautomer
potential energy surface cytosine trans-imino tautomer
2007/8/15
2006Vol.46No.3pp.541-544DOI:
Potential Energy Surface of Cytosine and Tunneling Between
Its Normal and Trans-imino Tautomer
ZHAO Zhen-Min, ZHANG Qi-Ren, and GAO Chun-Yuan
...
Analytical Potential Energy Function for the Ground State
X1Σ+ of Lanthanum Monofluoride
ab initio methods potential energy function vibrotation constants LaF
2007/8/15
2003Vol.39No.3pp.323-326DOI:
Analytical Potential Energy Function for the Ground State
X1Σ+ of Lanthanum Monofluoride
CHEN Lin-Hong and SHANG Ren-Cheng
Center for Astro...
Vibrational Spectra and Potential Energy Surface for Electronic Ground
State of Jet-Cooled Molecule
S2O
Lie algebraic vibrational energy
potential energy surface
2007/8/15
2004Vol.41No.1pp.95-100DOI:
Vibrational Spectra and Potential Energy Surface for Electronic Ground
State of Jet-Cooled Molecule
S2O
WANG Xiao-Yan1 and DING
Shi-Liang1,2
...
Potential Energy Surface in
Hartree-Fock Theory: Adiabatic or
Configuration-Constrained?
Hartree-Fock configuration-dictated method Gogny interaction
adiabatic assumption
2007/8/15
2004Vol.41No.2pp.257-262DOI:
Potential Energy Surface in
Hartree-Fock Theory: Adiabatic or
Configuration-Constrained?
GUO Lu,1,2 Sakata Fumihiko,1 and ZHAO
En-Guang2
1...