1989 |
19 | EE | Carlos F. Bunge:
Malleable software for ab-initio quantum chemistry.
Computers & Chemistry 13(2): 105-110 (1989) |
18 | EE | Annik Vivier Bunge,
Carlos F. Bunge,
Rocio Jáuregui,
Gerardo Cisneros:
Symmetry-eigenfunctions for many-electron atoms and molecules: A unified and friendly approach for frontier research and student training.
Computers & Chemistry 13(3): 201-222 (1989) |
17 | EE | Rocio Jáuregui,
Carlos F. Bunge,
Annik Vivier Bunge,
Gerardo Cisneros:
Angular momentum eigenfunctions for many-electron calculations.
Computers & Chemistry 13(3): 223-238 (1989) |
16 | EE | Annik Vivier Bunge,
Carlos F. Bunge,
Rocio Jáuregui,
Gerardo Cisneros:
Spin eigenfunctions for many-electron calculations.
Computers & Chemistry 13(3): 239-254 (1989) |
15 | EE | Gerardo Cisneros,
Rocio Jáuregui,
Carlos F. Bunge,
Annik Vivier Bunge:
Molecular symmetry eigenfunctions for many-electron calculations.
Computers & Chemistry 13(3): 255-270 (1989) |
14 | EE | Carlos F. Bunge:
Schmidt orthonormalization of a basis expressible both as linear combinations and as projections of orthonormal primitive functions.
Computers & Chemistry 13(3): 271-275 (1989) |
13 | EE | Carlos F. Bunge,
Rocio Jáuregui,
Gerardo Cisneros:
Writing friendly programs in modular form.
Computers & Chemistry 13(3): 277-290 (1989) |
1988 |
12 | EE | Carlos F. Bunge,
Annik Vivier Bunge,
Gerardo Cisneros,
Jean-Pierre Daudey:
V4ITD: A portable and efficient FORTRAN implementation of the 4IT algorithm using virtual memory and an external storage device.
Computers & Chemistry 12(2): 109-140 (1988) |
11 | EE | Gerardo Cisneros,
Carlos F. Bunge,
Annik Vivier Bunge,
Jean-Pierre Daudey:
E4ITD: A general FORTRAN implementation of the 4IT algorithm.
Computers & Chemistry 12(2): 141-164 (1988) |
10 | EE | Carlos F. Bunge,
Gerardo Cisneros:
Modular libraries and literate programming in software for ab initio atomic and molecular electronic structure calculations.
Computers & Chemistry 12(2): 85-89 (1988) |
9 | EE | Carlos F. Bunge,
Annik Vivier Bunge,
Gerardo Cisneros,
Jean-Pierre Daudey:
New algorithm and FORTRAN module to carry out the four-index transformation of atomic and molecular physics wholly in central memory.
Computers & Chemistry 12(2): 91-107 (1988) |
1986 |
8 | EE | Carlos F. Bunge,
Gerardo Cisneros:
Internal sort modules based on two-way merge algorithms.
Computers & Chemistry 10(2): 101-108 (1986) |
7 | EE | Carlos F. Bunge,
Gerardo Cisneros:
Sorting large lists of small items: A module for scientifically oriented applications.
Computers & Chemistry 10(2): 109-133 (1986) |
6 | EE | Carlos F. Bunge,
Gerardo Cisneros:
Bin sort module to order large lists of small items: A module for scientifically oriented applications.
Computers & Chemistry 10(2): 135-151 (1986) |
5 | EE | Carlos F. Bunge,
Gerardo Cisneros:
A modular package for efficient I/O operations.
Computers & Chemistry 10(2): 153-161 (1986) |
4 | EE | Annik Vivier Bunge,
Carlos F. Bunge:
HQRII1: An accurate, portable and fast diagonalization routine.
Computers & Chemistry 10(4): 259-268 (1986) |
3 | EE | Manuel Berrondo,
Annik Vivier Bunge,
Carlos F. Bunge:
VHQRII: An accurate, modular and fast diagonalization routine for vector processors.
Computers & Chemistry 10(4): 269-279 (1986) |
2 | EE | Gerardo Cisneros,
Manuel Berrondo,
Carlos F. Bunge:
DVDSON: A subroutine to evaluate selected sets of eigenvalues and eigenvectors of large symmetric matrices.
Computers & Chemistry 10(4): 281-291 (1986) |
1984 |
1 | EE | Gerardo Cisneros,
Carlos F. Bunge:
An improved computer program for eigenvectors and eigenvalues of large configuration interaction matrices using the algorithm of Davidson.
Computers & Chemistry 8(2): 157-160 (1984) |