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1

On the evaluation of non-adiabatic coupling matrix elements for large scale CI wavefunctions

Paul Saxe, Byron H. Lengsfield III, David R. Yarkony

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 339 KB

english, 1985

2

Exploiting rotational and translational invariance of the energy in derivative calculations in quantum chemistry

M. Page, P. Saxe, G.F. Adams, B.H. Lengsfield III

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 340 KB

english, 1984

3

The electronic and vibrational energies of the 5Σg+ state of He2 which corresponds asymptotically to the interaction of two 1s2s 3S He atoms

Daniel D. Konowalow, Byron H. Lengsfield III

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 297 KB

english, 1987

4

Analytic mc scf infrared intensities: application to formaldehyde

Byron H. Lengsfield III, Stephen Havriliak, Michael E. Colvin, Henry F. Schaefer III

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 567 KB

english, 1987

5

Theoretical study of the AlO blue-green (B2∑+−X2∑+ band system

H. Partridge, Stephen R. Langhoff, B.H. Lengsfield III, B. Liu

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

1983

Language:

english

File:

PDF, 911 KB

english, 1983

6

Improved CI formula evaluation: Elimination of the phase determination at the determinant level for arbitrarily coupled CSFs

Charles W. Bauschlicher Jr., Byron H. Lengsfield III

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 341 KB

english, 1981

7

Approximate spin-extended Hartree—Fock calculations

Byron H. Lengsfield III, John C. Schug

Journal:

Chemical Physics Letters

Year:

1978

Language:

english

File:

PDF, 394 KB

english, 1978

8

Theoretical study of electron-impact excitation of

Orel, A. E., Rescigno, T. N., Lengsfield III, B. H.

Journal:

Physical Review A

Year:

1990

Language:

english

File:

PDF, 317 KB

english, 1990

9

ChemInform Abstract: Ab initio Multireference Configuration Interaction Study of CH2NNO2. HONO Elimination vs NN Bond Fragmentation

MOWREY, R. C., PAGE, M., ADAMS, G. F., LENGSFIELD, B. H. III

Journal:

Year:

1990

File:

PDF, 88 KB

1990

10

ChemInform Abstract: AB INITIO ASSIGNMENT OF THE UV SPECTRA OF THE ETHYL, ISOPROPYL, AND TERT-BUTYL RADICALS

LENGSFIELD, B. H. III, SIEGBAHN, P. E. M., LIU, B.

Journal:

Chemischer Informationsdienst

Year:

1984

File:

PDF, 92 KB

1984

11

ChemInform Abstract: FORMALDEHYDE: AB INITIO MCSCF + CI TRANSITION STATE FOR FORMALDEHYDE â CARBON MONOXIDE + DIATOMIC HYDROGEN ON THE S0 SURFACE

DUPUIS, M., LESTER, W. A. JUN., LENGSFIELD, B. H. III, LIU, B.

Journal:

Chemischer Informationsdienst

Year:

1984

File:

PDF, 95 KB

1984

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