Interaction between LiH molecule and Li atom from state-of-the-art electronic structure calculations

Journal of Chemical Physics

Volumn 134, Issue 11, 2011, Pages

  Skomorowski, Wojciech ^a   Pawowski, Filip ^a   Korona, Tatiana ^a   Moszynski, Robert ^a   Uchowski, Piotr S ^b   Hutson, Jeremy M ^b  

^a UNIVERSITY OF WARSAW   (Poland)

^b DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO TECHNIQUES; AVOIDED CROSSINGS; BASIS SETS; BOND FUNCTIONS; BORN-OPPENHEIMER APPROXIMATION; CCSD; CHARACTERISTIC POINT; CONICAL INTERSECTION; CORE-VALENCE CORRELATION; COUPLED-CLUSTER METHODS; DIABATIC; ELECTRONIC STRUCTURE CALCULATIONS; ENERGY DIFFERENCES; EQUILIBRIUM DISTANCES; ERROR BARS; FULL CONFIGURATION INTERACTION; GLOBAL MINIMA; H-BONDS; INSERTION REACTIONS; INTERACTION POTENTIALS; ION PAIRS; LI ATOMS; LIH MOLECULE; LITHIUM ATOMS; LITHIUM HYDRIDES; NON-ITERATIVE; NONLINEAR GEOMETRY; ORBITAL BASIS SET; POWER LAW; REACTION CHANNELS; TRIPLE EXCITATION; TURNING POINTS; TWO-POINT; ULTRA LOW TEMPERATURES;

APPROXIMATION THEORY; BOND LENGTH; CALCULATIONS; ELECTRONIC STRUCTURE; EXCITED STATES; GEOMETRY; GROUND STATE; LITHIUM ALLOYS; MONOMERS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE PHENOMENA;

LITHIUM;

EID: 79953179358     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3563613     Document Type: Article

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