Ab Initio Studies of Small Molecules Using 1s Gaussian Basis Functions. II. H3+

Maurice E. Schwartz; L. J. Schaad

doi:10.1063/1.1701797

Ab Initio Studies of Small Molecules Using 1s Gaussian Basis Functions. II. H3+

The Journal of Chemical Physics ◽

10.1063/1.1701797 ◽

1967 ◽

Vol 47 (12) ◽

pp. 5325-5334 ◽

Cited By ~ 108

Author(s):

Maurice E. Schwartz ◽

L. J. Schaad

Keyword(s):

Ab Initio ◽

Small Molecules ◽

Basis Functions ◽

Gaussian Basis Functions

Download Full-text

Ab InitioStudies of Small Molecules Using 1s Gaussian Basis Functions. III. LCGTO SCF MO Wavefunctions of the Three‐ and Four‐Electron Systems He2+, He2, and Linear H3, H4+, H4

The Journal of Chemical Physics ◽

10.1063/1.1668050 ◽

1968 ◽

Vol 48 (10) ◽

pp. 4709-4715 ◽

Cited By ~ 32

Author(s):

Maurice E. Schwartz ◽

L. J. Schaad

Keyword(s):

Small Molecules ◽

Basis Functions ◽

Electron Systems ◽

Gaussian Basis Functions

Download Full-text

Modeling and Identifying Dynamic Derivatives of a Delta-Wing Aircraft Using Gaussian Basis Functions

AIAA Scitech 2021 Forum ◽

10.2514/6.2021-1425 ◽

2021 ◽

Author(s):

Daiki Kai ◽

Hiroki Sugiura ◽

Asei Tezuka

Keyword(s):

Delta Wing ◽

Basis Functions ◽

Gaussian Basis Functions ◽

Derivatives Of

Download Full-text

Adding electron-nuclear cusps to Gaussian basis functions for molecular quantum Monte Carlo calculations

Physical Review B ◽

10.1103/physrevb.76.115115 ◽

2007 ◽

Vol 76 (11) ◽

Cited By ~ 7

Author(s):

Jörg Kussmann ◽

Christian Ochsenfeld

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Basis Functions ◽

Monte Carlo Calculations ◽

Gaussian Basis Functions

Download Full-text

Computation of electron repulsion integrals involving contracted Gaussian basis functions

Journal of Computational Physics ◽

10.1016/0021-9991(78)90001-3 ◽

1978 ◽

Vol 27 (2) ◽

pp. 161-168 ◽

Cited By ~ 146

Author(s):

John A Pople ◽

Warren J Hehre

Keyword(s):

Basis Functions ◽

Electron Repulsion ◽

Electron Repulsion Integrals ◽

Gaussian Basis Functions

Download Full-text

On ab-initio calculations of singly excited states of atoms with augmented fuess-type basis functions

Chemical Physics Letters ◽

10.1016/0009-2614(79)80377-2 ◽

1979 ◽

Vol 66 (1) ◽

pp. 104-107 ◽

Cited By ~ 2

Author(s):

E. Yurtsever ◽

F.H.M. Faisal

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Excited States ◽

Basis Functions

Download Full-text

Ab initio CPHF calculations of the static polarizability and second hyperpolarizability of small molecules: Comparisons between standard and moderately large basis sets augmented with diffuse functions

International Journal of Quantum Chemistry ◽

10.1002/qua.560420530 ◽

1992 ◽

Vol 42 (5) ◽

pp. 1577-1594 ◽

Cited By ~ 19

Author(s):

M. Dory ◽

L. Beudels ◽

J. G. Fripiat ◽

J. Delhalle ◽

J. M. André ◽

...

Keyword(s):

Ab Initio ◽

Small Molecules ◽

Basis Sets ◽

Static Polarizability ◽

Second Hyperpolarizability

Download Full-text

Noise robust speech recognition using Gaussian basis functions for non-linear likelihood function approximation

IEEE International Conference on Acoustics Speech and Signal Processing ◽

10.1109/icassp.2002.5743740 ◽

2002 ◽

Author(s):

Chris Pal ◽

Brendan Frey ◽

Trausti Kristjansson

Keyword(s):

Speech Recognition ◽

Function Approximation ◽

Likelihood Function ◽

Basis Functions ◽

Robust Speech Recognition ◽

Non Linear ◽

Noise Robust Speech Recognition ◽

Gaussian Basis Functions ◽

Noise Robust

Download Full-text

Improved FSGO basis functions for ab initio calculations on large molecules

Chemical Physics Letters ◽

10.1016/0009-2614(73)80331-8 ◽

1973 ◽

Vol 18 (1) ◽

pp. 31-36 ◽

Cited By ~ 2

Author(s):

B.V. Cheney

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Basis Functions ◽

Large Molecules

Download Full-text

Ab initio calculation of core-electron binding energies in small molecules

Chemical Physics Letters ◽

10.1016/0009-2614(85)87033-0 ◽

1985 ◽

Vol 120 (2) ◽

pp. 163-166 ◽

Cited By ~ 5

Author(s):

P.K. Mukherjee ◽

D.P. Chong

Keyword(s):

Ab Initio ◽

Small Molecules ◽

Ab Initio Calculation ◽

Binding Energies ◽

Core Electron ◽

Electron Binding Energies ◽

Electron Binding

Download Full-text

Approximation of Gaussian basis functions in the problem of adaptive control of nonlinear objects

Cybernetics and Systems Analysis ◽

10.1007/s10559-011-9285-7 ◽

2011 ◽

Vol 47 (1) ◽

pp. 1-10 ◽

Cited By ~ 2

Author(s):

O. G. Rudenko ◽

A. A. Bezsonov ◽

A. S. Liashenko ◽

R. A. Sunna

Keyword(s):

Adaptive Control ◽

Basis Functions ◽

Gaussian Basis Functions

Download Full-text