Ab-initio multiple reference double-excitation configuration-interaction ground and excited state potential curves for the H2NNO2 decomposition in nitramine

Double Excitation ◽

State Potential ◽

Multiple Reference ◽

Ab initio multiple reference double‐excitation configuration‐interaction ground and excited state potential curves for nitromethane decomposition

10.1063/1.460440 ◽

1991 ◽

Vol 94 (9) ◽

pp. 6030-6035 ◽

Cited By ~ 13

Author(s):

S. Roszak ◽

Joyce J. Kaufman

Keyword(s):

Excited State ◽

Ab Initio ◽

Double Excitation ◽

State Potential ◽

Multiple Reference ◽

Global nine-dimensional potential energy surface for the H5 system. I. Ab initio multiple reference single and double excitation configuration interaction computations

10.1063/1.478687 ◽

1999 ◽

Vol 110 (16) ◽

pp. 7789-7795 ◽

Cited By ~ 2

Author(s):

Alfredo Aguado ◽

César Tablero ◽

Miguel Paniagua

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Double Excitation ◽

Multiple Reference

Ab initio MRD CI ground and excited state potential curves for addition of O to H2CCH2 and oxirane formation and decomposition

Chemical Physics ◽

10.1016/0301-0104(90)85016-p ◽

1990 ◽

Vol 147 (1) ◽

pp. 13-18 ◽

Cited By ~ 4

Author(s):

S. Roszak ◽

R.J. Buenker ◽

P.C. Hariharan ◽

Joyce J. Kaufman

Keyword(s):

Excited State ◽

Ab Initio ◽

State Potential ◽

The dispersed fluorescence spectrum of NaAr: Ground and excited state potential curves

10.1063/1.438428 ◽

1979 ◽

Vol 71 (3) ◽

pp. 1283-1291 ◽

Cited By ~ 136

Author(s):

Joel Tellinghuisen ◽

Anthony Ragone ◽

Myung Soo Kim ◽

Daniel J. Auerbach ◽

Richard E. Smalley ◽

...

Keyword(s):

Excited State ◽

Fluorescence Spectrum ◽

Dispersed Fluorescence ◽

State Potential ◽

A Comparative ab Initio Multireference Single and Double Excitation Configuration Interaction Study of the Electronic Spectra of Low-Lying Linear and Cyclic C5H Isomers

The Journal of Physical Chemistry A ◽

10.1021/jp021374c ◽

2002 ◽

Vol 106 (35) ◽

pp. 8201-8206 ◽

Cited By ~ 13

Author(s):

Jan Haubrich ◽

Max Mühlhäuser ◽

Sigrid D. Peyerimhoff

Keyword(s):

Ab Initio ◽

Electronic Spectra ◽

Interaction Study ◽

Double Excitation

Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl- 2

Molecular Physics ◽

10.1080/00268979000100391 ◽

1990 ◽

Vol 69 (3) ◽

pp. 549-557 ◽

Cited By ~ 8

Author(s):

S.P. Karna ◽

Friedrich Grein ◽

B. Engels ◽

S.D. Peyerimhoff

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Interaction Studies ◽

State Potential

Ab Initio Calculations of Excited-State Potential Surfaces of Polyatomic Molecules

Excited States ◽

10.1016/b978-0-12-227205-9.50006-4 ◽

1982 ◽

pp. 1-39 ◽

Cited By ~ 23

Author(s):

ERNEST R. DAVIDSON ◽

LARRY E. McMURCHIE

Keyword(s):

Excited State ◽

Ab Initio Calculations ◽

Ab Initio ◽

Polyatomic Molecules ◽

Potential Surfaces ◽

State Potential

Ab initio configuration interaction calculations of the potential curves and lifetimes of the low‐lying electronic states of the lead dimer

10.1063/1.471357 ◽

1996 ◽

Vol 104 (17) ◽

pp. 6631-6642 ◽

Cited By ~ 9

Author(s):

Kalyan K. Das ◽

Heinz‐Peter Liebermann ◽

Robert J. Buenker ◽

Gerhard Hirsch

Keyword(s):

Ab Initio ◽

Electronic States ◽

Configuration Interaction Calculations ◽

Ab initio X10+ground state potential curves of Pb⋯RG dimers (RG = He, Ne, Ar) including spin–orbit effects. Simulation of diffusion coefficients

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02241f ◽

2014 ◽

Vol 16 (34) ◽

pp. 18519 ◽

Cited By ~ 1

Author(s):

Vladimir Sladek ◽

Lukáš Bučinský ◽

Ján Matuška ◽

Michal Ilčin ◽

Vladimír Lukeš ◽

...

Keyword(s):

Ab Initio ◽

Ground State ◽

Diffusion Coefficients ◽

Spin Orbit ◽

State Potential ◽

Ab initio effective valence shell hamiltonian calculation of the valence state potential curves of CH and CH+

Chemical Physics Letters ◽

10.1016/0009-2614(81)85252-9 ◽

1981 ◽

Vol 78 (3) ◽

pp. 531-537 ◽

Cited By ~ 29

Author(s):

Hosung Sun ◽

Karl F. Freed

Keyword(s):

Ab Initio ◽

Valence State ◽

Valence Shell ◽

State Potential ◽

Effective Valence ◽