id	sid	tid	token	lemma	pos
79407w65g32	1	1	the	the	DET
79407w65g32	1	2	electronic	electronic	ADJ
79407w65g32	1	3	energy	energy	NOUN
79407w65g32	1	4	transfer	transfer	NOUN
79407w65g32	1	5	processes	process	NOUN
79407w65g32	1	6	in	in	ADP
79407w65g32	1	7	natural	natural	ADJ
79407w65g32	1	8	systems	system	NOUN
79407w65g32	1	9	,	,	PUNCT
79407w65g32	1	10	such	such	ADJ
79407w65g32	1	11	as	as	ADP
79407w65g32	1	12	the	the	DET
79407w65g32	1	13	light	light	ADJ
79407w65g32	1	14	harvesting	harvesting	NOUN
79407w65g32	1	15	pigment	pigment	NOUN
79407w65g32	1	16	protein	protein	NOUN
79407w65g32	1	17	complexes	complex	NOUN
79407w65g32	1	18	,	,	PUNCT
79407w65g32	1	19	and	and	CCONJ
79407w65g32	1	20	semiconductors	semiconductor	NOUN
79407w65g32	1	21	,	,	PUNCT
79407w65g32	1	22	such	such	ADJ
79407w65g32	1	23	as	as	ADP
79407w65g32	1	24	photovoltaic	photovoltaic	ADJ
79407w65g32	1	25	devices	device	NOUN
79407w65g32	1	26	,	,	PUNCT
79407w65g32	1	27	occur	occur	VERB
79407w65g32	1	28	via	via	ADP
79407w65g32	1	29	electron	electron	NOUN
79407w65g32	1	30	dynamics	dynamic	NOUN
79407w65g32	1	31	in	in	ADP
79407w65g32	1	32	complex	complex	ADJ
79407w65g32	1	33	systems	system	NOUN
79407w65g32	1	34	.	.	PUNCT
79407w65g32	2	1	understanding	understand	VERB
79407w65g32	2	2	the	the	DET
79407w65g32	2	3	excited	excited	ADJ
79407w65g32	2	4	state	state	NOUN
79407w65g32	2	5	dynamics	dynamic	NOUN
79407w65g32	2	6	is	be	AUX
79407w65g32	2	7	important	important	ADJ
79407w65g32	2	8	in	in	ADP
79407w65g32	2	9	designing	design	VERB
79407w65g32	2	10	the	the	DET
79407w65g32	2	11	biological	biological	ADJ
79407w65g32	2	12	or	or	CCONJ
79407w65g32	2	13	nanostructured	nanostructure	VERB
79407w65g32	2	14	materials	material	NOUN
79407w65g32	2	15	.	.	PUNCT
79407w65g32	3	1	the	the	DET
79407w65g32	3	2	computational	computational	ADJ
79407w65g32	3	3	simulation	simulation	NOUN
79407w65g32	3	4	of	of	ADP
79407w65g32	3	5	electron	electron	NOUN
79407w65g32	3	6	dynamics	dynamic	NOUN
79407w65g32	3	7	in	in	ADP
79407w65g32	3	8	an	an	DET
79407w65g32	3	9	accurate	accurate	ADJ
79407w65g32	3	10	and	and	CCONJ
79407w65g32	3	11	affordable	affordable	ADJ
79407w65g32	3	12	manner	manner	NOUN
79407w65g32	3	13	is	be	AUX
79407w65g32	3	14	crucial	crucial	ADJ
79407w65g32	3	15	for	for	ADP
79407w65g32	3	16	making	make	VERB
79407w65g32	3	17	progress	progress	NOUN
79407w65g32	3	18	in	in	ADP
79407w65g32	3	19	this	this	DET
79407w65g32	3	20	area	area	NOUN
79407w65g32	3	21	.	.	PUNCT
79407w65g32	4	1	the	the	DET
79407w65g32	4	2	time	time	NOUN
79407w65g32	4	3	dependent	dependent	ADJ
79407w65g32	4	4	open	open	ADJ
79407w65g32	4	5	system	system	NOUN
79407w65g32	4	6	self	self	NOUN
79407w65g32	4	7	consistent	consistent	ADJ
79407w65g32	4	8	field	field	NOUN
79407w65g32	4	9	at	at	ADP
79407w65g32	4	10	second	second	ADJ
79407w65g32	4	11	order	order	NOUN
79407w65g32	4	12	(	(	PUNCT
79407w65g32	4	13	oscf2	oscf2	NOUN
79407w65g32	4	14	)	)	PUNCT
79407w65g32	4	15	is	be	AUX
79407w65g32	4	16	a	a	DET
79407w65g32	4	17	real	real	ADJ
79407w65g32	4	18	-	-	PUNCT
79407w65g32	4	19	time	time	NOUN
79407w65g32	4	20	time	time	NOUN
79407w65g32	4	21	-	-	PUNCT
79407w65g32	4	22	dependent	dependent	ADJ
79407w65g32	4	23	density	density	NOUN
79407w65g32	4	24	functional	functional	ADJ
79407w65g32	4	25	theory	theory	NOUN
79407w65g32	4	26	(	(	PUNCT
79407w65g32	4	27	rt	rt	PROPN
79407w65g32	4	28	-	-	PUNCT
79407w65g32	4	29	tddft	tddft	PROPN
79407w65g32	4	30	)	)	PUNCT
79407w65g32	4	31	method	method	NOUN
79407w65g32	4	32	.	.	PUNCT
79407w65g32	5	1	the	the	DET
79407w65g32	5	2	block	block	NOUN
79407w65g32	5	3	orthogonalized	orthogonalize	VERB
79407w65g32	5	4	partitioning	partitioning	NOUN
79407w65g32	5	5	method	method	NOUN
79407w65g32	5	6	eliminates	eliminate	VERB
79407w65g32	5	7	unphysical	unphysical	ADJ
79407w65g32	5	8	errors	error	NOUN
79407w65g32	5	9	of	of	ADP
79407w65g32	5	10	the	the	DET
79407w65g32	5	11	embedded	embed	VERB
79407w65g32	5	12	mean	mean	ADJ
79407w65g32	5	13	field	field	NOUN
79407w65g32	5	14	theory	theory	NOUN
79407w65g32	5	15	at	at	ADP
79407w65g32	5	16	no	no	DET
79407w65g32	5	17	additional	additional	ADJ
79407w65g32	5	18	cost	cost	NOUN
79407w65g32	5	19	.	.	PUNCT
79407w65g32	6	1	this	this	DET
79407w65g32	6	2	thesis	thesis	NOUN
79407w65g32	6	3	focuses	focus	VERB
79407w65g32	6	4	on	on	ADP
79407w65g32	6	5	the	the	DET
79407w65g32	6	6	application	application	NOUN
79407w65g32	6	7	of	of	ADP
79407w65g32	6	8	oscf2	oscf2	ADJ
79407w65g32	6	9	to	to	ADP
79407w65g32	6	10	the	the	DET
79407w65g32	6	11	simulation	simulation	NOUN
79407w65g32	6	12	of	of	ADP
79407w65g32	6	13	transient	transient	ADJ
79407w65g32	6	14	absorption	absorption	NOUN
79407w65g32	6	15	spectroscopy	spectroscopy	NOUN
79407w65g32	6	16	.	.	PUNCT
79407w65g32	7	1	oscf2	oscf2	ADJ
79407w65g32	7	2	accurately	accurately	ADV
79407w65g32	7	3	reproduced	reproduce	VERB
79407w65g32	7	4	transient	transient	ADJ
79407w65g32	7	5	absorption	absorption	NOUN
79407w65g32	7	6	spectra	spectra	NOUN
79407w65g32	7	7	and	and	CCONJ
79407w65g32	7	8	non	non	ADJ
79407w65g32	7	9	-	-	ADJ
79407w65g32	7	10	radiative	radiative	ADJ
79407w65g32	7	11	relaxation	relaxation	NOUN
79407w65g32	7	12	rates	rate	NOUN
79407w65g32	7	13	of	of	ADP
79407w65g32	7	14	green	green	ADJ
79407w65g32	7	15	fluorescent	fluorescent	NOUN
79407w65g32	7	16	protein	protein	NOUN
79407w65g32	7	17	chromophore	chromophore	NOUN
79407w65g32	7	18	derivative	derivative	ADJ
79407w65g32	7	19	3	3	NUM
79407w65g32	7	20	(	(	PUNCT
79407w65g32	7	21	gfp-3	gfp-3	NOUN
79407w65g32	7	22	)	)	PUNCT
79407w65g32	7	23	.	.	PUNCT
79407w65g32	8	1	the	the	DET
79407w65g32	8	2	implementation	implementation	NOUN
79407w65g32	8	3	of	of	ADP
79407w65g32	8	4	an	an	DET
79407w65g32	8	5	embedded	embed	VERB
79407w65g32	8	6	mean	mean	ADJ
79407w65g32	8	7	-	-	PUNCT
79407w65g32	8	8	field	field	NOUN
79407w65g32	8	9	theory	theory	NOUN
79407w65g32	8	10	using	use	VERB
79407w65g32	8	11	block	block	NOUN
79407w65g32	8	12	-	-	PUNCT
79407w65g32	8	13	orthogonolized	orthogonolized	ADJ
79407w65g32	8	14	partitioning	partitioning	NOUN
79407w65g32	8	15	to	to	ADP
79407w65g32	8	16	real	real	ADJ
79407w65g32	8	17	-	-	PUNCT
79407w65g32	8	18	time	time	NOUN
79407w65g32	8	19	time	time	NOUN
79407w65g32	8	20	dependent	dependent	ADJ
79407w65g32	8	21	density	density	NOUN
79407w65g32	8	22	functional	functional	ADJ
79407w65g32	8	23	theory	theory	NOUN
79407w65g32	8	24	(	(	PUNCT
79407w65g32	8	25	rt	rt	PROPN
79407w65g32	8	26	-	-	PUNCT
79407w65g32	8	27	tddft	tddft	PROPN
79407w65g32	8	28	)	)	PUNCT
79407w65g32	8	29	and	and	CCONJ
79407w65g32	8	30	its	its	PRON
79407w65g32	8	31	effect	effect	NOUN
79407w65g32	8	32	of	of	ADP
79407w65g32	8	33	accuracy	accuracy	NOUN
79407w65g32	8	34	and	and	CCONJ
79407w65g32	8	35	affordability	affordability	NOUN
79407w65g32	8	36	are	be	AUX
79407w65g32	8	37	discussed	discuss	VERB
79407w65g32	8	38	.	.	PUNCT
79407w65g32	9	1	the	the	DET
79407w65g32	9	2	block	block	NOUN
79407w65g32	9	3	orthogonalized	orthogonalize	VERB
79407w65g32	9	4	partitioning	partitioning	NOUN
79407w65g32	9	5	in	in	ADP
79407w65g32	9	6	rt	rt	PROPN
79407w65g32	9	7	-	-	PUNCT
79407w65g32	9	8	tddft	tddft	PROPN
79407w65g32	9	9	accurately	accurately	ADV
79407w65g32	9	10	describes	describe	VERB
79407w65g32	9	11	the	the	DET
79407w65g32	9	12	interactions	interaction	NOUN
79407w65g32	9	13	between	between	ADP
79407w65g32	9	14	the	the	DET
79407w65g32	9	15	regions	region	NOUN
79407w65g32	9	16	while	while	SCONJ
79407w65g32	9	17	maintaining	maintain	VERB
79407w65g32	9	18	computational	computational	ADJ
79407w65g32	9	19	affordability	affordability	NOUN
79407w65g32	9	20	.	.	PUNCT
79407w65g32	10	1	the	the	DET
79407w65g32	10	2	method	method	NOUN
79407w65g32	10	3	development	development	NOUN
79407w65g32	10	4	for	for	ADP
79407w65g32	10	5	the	the	DET
79407w65g32	10	6	excitation	excitation	NOUN
79407w65g32	10	7	process	process	NOUN
79407w65g32	10	8	for	for	ADP
79407w65g32	10	9	rt	rt	NOUN
79407w65g32	10	10	-	-	PUNCT
79407w65g32	10	11	tddft	tddft	NOUN
79407w65g32	10	12	using	use	VERB
79407w65g32	10	13	the	the	DET
79407w65g32	10	14	tammdancoff	tammdancoff	NOUN
79407w65g32	10	15	approximation	approximation	NOUN
79407w65g32	10	16	is	be	AUX
79407w65g32	10	17	discussed	discuss	VERB
79407w65g32	10	18	.	.	PUNCT
79407w65g32	11	1	the	the	DET
79407w65g32	11	2	effort	effort	NOUN
79407w65g32	11	3	to	to	PART
79407w65g32	11	4	describe	describe	VERB
79407w65g32	11	5	the	the	DET
79407w65g32	11	6	excitation	excitation	NOUN
79407w65g32	11	7	process	process	NOUN
79407w65g32	11	8	in	in	ADP
79407w65g32	11	9	rt	rt	PROPN
79407w65g32	11	10	-	-	PUNCT
79407w65g32	11	11	tddft	tddft	PROPN
79407w65g32	11	12	leads	lead	VERB
79407w65g32	11	13	to	to	ADP
79407w65g32	11	14	partial	partial	ADJ
79407w65g32	11	15	success	success	NOUN
79407w65g32	11	16	.	.	PUNCT
79407w65g32	12	1	studies	study	NOUN
79407w65g32	12	2	using	use	VERB
79407w65g32	12	3	neural	neural	ADJ
79407w65g32	12	4	networks	network	NOUN
79407w65g32	12	5	on	on	ADP
79407w65g32	12	6	molecular	molecular	ADJ
79407w65g32	12	7	dynamics	dynamic	NOUN
79407w65g32	12	8	using	use	VERB
79407w65g32	12	9	bullvalene	bullvalene	PROPN
79407w65g32	12	10	and	and	CCONJ
79407w65g32	12	11	mechanistic	mechanistic	ADJ
79407w65g32	12	12	studies	study	NOUN
79407w65g32	12	13	on	on	ADP
79407w65g32	12	14	formation	formation	NOUN
79407w65g32	12	15	of	of	ADP
79407w65g32	12	16	oxindole	oxindole	NOUN
79407w65g32	12	17	derivative	derivative	NOUN
79407w65g32	12	18	from	from	ADP
79407w65g32	12	19	squaraine	squaraine	ADJ
79407w65g32	12	20	dyes	dye	NOUN
79407w65g32	12	21	are	be	AUX
79407w65g32	12	22	discussed	discuss	VERB
79407w65g32	12	23	.	.	PUNCT
79407w65g32	13	1	the	the	DET
79407w65g32	13	2	neural	neural	ADJ
79407w65g32	13	3	network	network	NOUN
79407w65g32	13	4	force	force	NOUN
79407w65g32	13	5	field	field	NOUN
79407w65g32	13	6	was	be	AUX
79407w65g32	13	7	not	not	PART
79407w65g32	13	8	successful	successful	ADJ
79407w65g32	13	9	to	to	PART
79407w65g32	13	10	reproduce	reproduce	VERB
79407w65g32	13	11	the	the	DET
79407w65g32	13	12	conformer	conformer	NOUN
79407w65g32	13	13	search	search	NOUN
79407w65g32	13	14	through	through	ADP
79407w65g32	13	15	molecular	molecular	ADJ
79407w65g32	13	16	dynamics	dynamic	NOUN
79407w65g32	13	17	simulations	simulation	NOUN
79407w65g32	13	18	,	,	PUNCT
79407w65g32	13	19	presumably	presumably	ADV
79407w65g32	13	20	due	due	ADJ
79407w65g32	13	21	to	to	ADP
79407w65g32	13	22	insufficient	insufficient	ADJ
79407w65g32	13	23	simulation	simulation	NOUN
79407w65g32	13	24	times	time	NOUN
79407w65g32	13	25	.	.	PUNCT
79407w65g32	14	1	the	the	DET
79407w65g32	14	2	free	free	ADJ
79407w65g32	14	3	energy	energy	NOUN
79407w65g32	14	4	barriers	barrier	NOUN
79407w65g32	14	5	of	of	ADP
79407w65g32	14	6	ring	ring	NOUN
79407w65g32	14	7	opening	open	VERB
79407w65g32	14	8	step	step	NOUN
79407w65g32	14	9	of	of	ADP
79407w65g32	14	10	squaraine	squaraine	ADJ
79407w65g32	14	11	ring	ring	NOUN
79407w65g32	14	12	are	be	AUX
79407w65g32	14	13	in	in	ADP
79407w65g32	14	14	line	line	NOUN
79407w65g32	14	15	with	with	ADP
79407w65g32	14	16	the	the	DET
79407w65g32	14	17	experimental	experimental	ADJ
79407w65g32	14	18	observations	observation	NOUN
79407w65g32	14	19	.	.	PUNCT
79407w65g32	15	1	lastly	lastly	ADV
79407w65g32	15	2	,	,	PUNCT
79407w65g32	15	3	the	the	DET
79407w65g32	15	4	software	software	NOUN
79407w65g32	15	5	implementations	implementation	NOUN
79407w65g32	15	6	to	to	ADP
79407w65g32	15	7	pyscf	pyscf	NOUN
79407w65g32	15	8	,	,	PUNCT
79407w65g32	15	9	q2	q2	PROPN
79407w65g32	15	10	mm	mm	PROPN
79407w65g32	15	11	,	,	PUNCT
79407w65g32	15	12	and	and	CCONJ
79407w65g32	15	13	automated	automated	ADJ
79407w65g32	15	14	catvs	catvs	NOUN
79407w65g32	15	15	are	be	AUX
79407w65g32	15	16	discussed	discuss	VERB
79407w65g32	15	17	.	.	PUNCT