Potential Energy Surfaces for Open Shell Species

Dynamics of Polyatomic Van der Waals Complexes - NATO ASI Series ◽

10.1007/978-1-4684-8009-2_12 ◽

1990 ◽

pp. 123-141

Author(s):

Piergiorgio Casavecchia

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Energy Surfaces

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CEPA calculations of potential energy surfaces for open-shell systems

Zeitschrift für Physik D ◽

10.1007/bf01399036 ◽

1989 ◽

Vol 14 (2) ◽

pp. 143-148 ◽

Author(s):

R. Jonas ◽

V. Staemmler

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Energy Surfaces

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Cepa calculations of potential energy surfaces for open-shell systems. I. The reaction of O(3P) with H2(1Σg+)

Chemical Physics ◽

10.1016/0301-0104(81)85179-8 ◽

1981 ◽

Vol 59 (3) ◽

pp. 373-385 ◽

Author(s):

Ralph Jaquet ◽

Volker Staemmler

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Energy Surfaces

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CEPA calculations of potential energy surfaces for open-shell systems.

Chemical Physics ◽

10.1016/0301-0104(85)85049-7 ◽

1985 ◽

Vol 93 (1) ◽

pp. 63-69 ◽

Author(s):

Volker Staemmler ◽

Amadeo Palma

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Energy Surfaces

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Open Shell Atomic Beam Scattering and the Spin Orbit Dependence of Potential Energy Surfaces

Selectivity in Chemical Reactions ◽

10.1007/978-94-009-3047-6_10 ◽

1988 ◽

pp. 179-194

Author(s):

V. Aquilanti ◽

R. Candori ◽

G. Liuti ◽

F. Pirani

Keyword(s):

Potential Energy ◽

Atomic Beam ◽

Potential Energy Surfaces ◽

Beam Scattering ◽

Energy Surfaces

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CEPA calculations of potential energy surfaces for open-shell systems. V. The O2-He Van der Waals potential

Chemical Physics ◽

10.1016/0301-0104(86)85090-x ◽

1986 ◽

Vol 101 (2) ◽

pp. 243-257 ◽

Author(s):

R. Jaquet ◽

V. Staemmler

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Van Der Waals ◽

Energy Surfaces

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The coupled cluster approach with a hybrid treatment of connected triple excitations: Spectroscopic constants in open-shell diatomic molecules, and bond-breaking or twisting potential energy surfaces

Chemical Physics ◽

10.1016/j.chemphys.2011.10.023 ◽

2012 ◽

Vol 401 ◽

pp. 113-118 ◽

Author(s):

Zhuangfei Kou ◽

Jun Shen ◽

Enhua Xu ◽

Shuhua Li

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Diatomic Molecules ◽

Spectroscopic Constants ◽

Coupled Cluster ◽

Bond Breaking ◽

Cluster Approach ◽

Hybrid Treatment ◽

Energy Surfaces

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CEPA Calculations of potential energy surfaces for open-shell systems. II. The reaction of C+ Ions with molecular hydrogen

Chemical Physics ◽

10.1016/0301-0104(82)87057-2 ◽

1982 ◽

Vol 68 (3) ◽

pp. 479-489 ◽

Author(s):

Ralph Jaquet ◽

Volker Staemmler

Keyword(s):

Potential Energy ◽

Molecular Hydrogen ◽

Potential Energy Surfaces ◽

Energy Surfaces

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CEPA calculations of potential energy surfaces for open-shell systems.

Chemical Physics ◽

10.1016/0301-0104(85)80013-6 ◽

1985 ◽

Vol 92 (1) ◽

pp. 141-153 ◽

Author(s):

Volker Staemmler ◽

Ralph Jaquet

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Energy Surfaces

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Potential energy surfaces and bound states for the open-shell van der Waals cluster Br–HF

The Journal of Chemical Physics ◽

10.1063/1.1615238 ◽

2003 ◽

Vol 119 (17) ◽

pp. 8873-8881 ◽

Author(s):

Markus Meuwly ◽

Jeremy M. Hutson

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Bound States ◽

Van Der Waals ◽

Energy Surfaces ◽

Van Der Waals Cluster

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Numerical techniques for the evaluation of non-adiabatic interactions and the generation of quasi-diabatic potential energy surfaces using configuration interaction methods

Molecular Physics ◽

10.1080/00268970050177585 ◽

2000 ◽

Vol 98 (21) ◽

pp. 1677-1690 ◽

Author(s):

Alexander O. Mitrushenkov, Paolo Palmieri, Cr

Keyword(s):

Potential Energy ◽

Configuration Interaction ◽

Potential Energy Surfaces ◽

Numerical Techniques ◽

Energy Surfaces

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