The multiconfigurational spin tensor electron propagator method (MCSTEP): Electron affinities of Li, Na, and K

Richard L. Graham; Danny L. Yeager; Antonio Rizzo

doi:10.1063/1.457546

The multiconfigurational spin tensor electron propagator method (MCSTEP): Electron affinities of Li, Na, and K

The Journal of Chemical Physics ◽

10.1063/1.457546 ◽

1989 ◽

Vol 91 (9) ◽

pp. 5451-5454 ◽

Cited By ~ 24

Author(s):

Richard L. Graham ◽

Danny L. Yeager ◽

Antonio Rizzo

Keyword(s):

Electron Affinities ◽

Spin Tensor ◽

Electron Propagator ◽

Propagator Method

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Erratum: The multiconfigurational spin tensor electron propagator method: Electron affinities of Li, Na, and K [J. Chem. Phys. 91, 5451 (1989)]

The Journal of Chemical Physics ◽

10.1063/1.458607 ◽

1990 ◽

Vol 92 (10) ◽

pp. 6336-6337 ◽

Cited By ~ 7

Author(s):

Richard L. Graham ◽

Danny L. Yeager ◽

Antonio Rizzo

Keyword(s):

Chem Phys ◽

Electron Affinities ◽

Spin Tensor ◽

Electron Propagator ◽

Propagator Method

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The determination of electron affinities of the open shell systems C and CH2using the multiconfigurational spin tensor electron propagator method

The Journal of Chemical Physics ◽

10.1063/1.464488 ◽

1993 ◽

Vol 98 (11) ◽

pp. 8790-8800 ◽

Cited By ~ 21

Author(s):

Danny L. Yeager ◽

Jeffrey A. Nichols ◽

Joseph T. Golab

Keyword(s):

Open Shell ◽

Electron Affinities ◽

Spin Tensor ◽

Electron Propagator ◽

Propagator Method

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Modification of optimal complete active space choices for the multiconfigurational spin-tensor electron propagator method for ionization potentials

International Journal of Quantum Chemistry ◽

10.1002/qua.21167 ◽

2006 ◽

Vol 107 (3) ◽

pp. 694-702 ◽

Cited By ~ 9

Author(s):

Rajiv Saha ◽

Dongxia Ma ◽

Danny L. Yeager

Keyword(s):

Ionization Potentials ◽

Spin Tensor ◽

Complete Active Space ◽

Active Space ◽

Electron Propagator ◽

Propagator Method

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Complete basis set limit ionization potentials of O3 and NO2 using the multiconfigurational spin tensor electron propagator method (MCSTEP)

Chemical Physics ◽

10.1016/s0301-0104(98)00286-9 ◽

1998 ◽

Vol 238 (1) ◽

pp. 1-9 ◽

Cited By ~ 28

Author(s):

Alexander J. McKellar ◽

Dodi Heryadi ◽

Danny L. Yeager ◽

Jeffrey A. Nichols

Keyword(s):

Ionization Potentials ◽

Basis Set ◽

Spin Tensor ◽

Electron Propagator ◽

Complete Basis ◽

Propagator Method ◽

Complete Basis Set ◽

Complete Basis Set Limit

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Low-Lying Ionization Potentials of B3N and Photodetachment Energies of B3N- Using the Multiconfigurational Spin Tensor Electron Propagator Method

Fundamental World of Quantum Chemistry ◽

10.1007/978-94-017-0448-9_23 ◽

2004 ◽

pp. 547-561 ◽

Cited By ~ 5

Author(s):

S. Mahalakshmi ◽

Danny L. Yeager

Keyword(s):

Ionization Potentials ◽

Spin Tensor ◽

Electron Propagator ◽

Propagator Method

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Electron-atom scattering resonances: Complex-scaled multiconfigurational spin-tensor electron propagator method forB−shaperesonances

Physical Review A ◽

10.1103/physreva.91.063405 ◽

2015 ◽

Vol 91 (6) ◽

Cited By ~ 3

Author(s):

Tsogbayar Tsednee ◽

Danny L. Yeager

Keyword(s):

Spin Tensor ◽

Electron Propagator ◽

Electron Atom ◽

Atom Scattering ◽

Propagator Method ◽

Scattering Resonances

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The determination of low lying ionization potentials of BN, BN+and B2N and photodetachment energies of BN−and B2N−using the multiconfigurational spin tensor electron propagator method

Molecular Physics ◽

10.1080/00268970210162853 ◽

2003 ◽

Vol 101 (1-2) ◽

pp. 165-174 ◽

Cited By ~ 6

Author(s):

S. MAHALAKSHMI ◽

DANNY L. YEAGER

Keyword(s):

Ionization Potentials ◽

Spin Tensor ◽

Electron Propagator ◽

Propagator Method

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A small optimal complete active space (CAS) for multiconfigurational spin tensor electron propagator method (MCSTEP) ionization potentials: Application to methane, acetylene, ethylene, and ethane

The Journal of Chemical Physics ◽

10.1063/1.474871 ◽

1997 ◽

Vol 107 (13) ◽

pp. 5088-5093 ◽

Cited By ~ 17

Author(s):

Dodi Heryadi ◽

Christopher T. Jones ◽

Danny L. Yeager

Keyword(s):

Ionization Potentials ◽

Spin Tensor ◽

Complete Active Space ◽

Active Space ◽

Electron Propagator ◽

Propagator Method

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The multiconfigurational spin‐tensor electron propagator method for determining vertical principal and shake‐up ionization potentials for open shell and highly correlated atoms and molecules

The Journal of Chemical Physics ◽

10.1063/1.453081 ◽

1987 ◽

Vol 87 (5) ◽

pp. 2925-2944 ◽

Cited By ~ 74

Author(s):

Joseph T. Golab ◽

Danny L. Yeager

Keyword(s):

Open Shell ◽

Ionization Potentials ◽

Spin Tensor ◽

Atoms And Molecules ◽

Electron Propagator ◽

Propagator Method ◽

Highly Correlated

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The ionization potentials of NH2: The multiconfigurational spin‐tensor electron propagator method (MCSTEP) applied to a polyatomic open‐shell radical

The Journal of Chemical Physics ◽

10.1063/1.454037 ◽

1988 ◽

Vol 88 (4) ◽

pp. 2572-2581 ◽

Cited By ~ 29

Author(s):

Richard L. Graham ◽

Joseph T. Golab ◽

Danny L. Yeager

Keyword(s):

Open Shell ◽

Ionization Potentials ◽

Spin Tensor ◽

Electron Propagator ◽

Propagator Method

Download Full-text